Chembase list of 866358 unique molecular structures

5-nitro-2-[(2-phenylethyl)amino]benzonitrile

$$$$ Data

M. F.

C15H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036700

Database	Data ID
PubChem	4013392

M. W.

267.28262

CAS

Similarity

N/A

ID: 33952

2-{[2-(4-methoxyphenyl)ethyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C16H15N3O3

Suppliers	Catalog Number
Matrix Scientific	036701

Database	Data ID
PubChem	4216757

M. W.

297.3086

CAS

Similarity

N/A

ID: 33953

5-nitro-2-[(thiophen-2-ylmethyl)amino]benzonitrile

$$$$ Data

M. F.

C12H9N3O2S

Suppliers	Catalog Number
Matrix Scientific	036702

Database	Data ID
PubChem	7410316

M. W.

259.28376

CAS

Similarity

N/A

ID: 33954

2-[(furan-2-ylmethyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C12H9N3O3

Suppliers	Catalog Number
Matrix Scientific	036703

Database	Data ID
PubChem	4783922

M. W.

243.21816

CAS

Similarity

N/A

ID: 33955

5-nitro-2-[(oxolan-2-ylmethyl)amino]benzonitrile

$$$$ Data

M. F.

C12H13N3O3

Suppliers	Catalog Number
Matrix Scientific	036704

Database	Data ID
PubChem	4780520

M. W.

247.24992

CAS

Similarity

N/A

ID: 33956

5-nitro-2-[(pyridin-3-ylmethyl)amino]benzonitrile

$$$$ Data

M. F.

C13H10N4O2

Suppliers	Catalog Number
Matrix Scientific	036705

Database	Data ID
PubChem	3687129

M. W.

254.2441

CAS

Similarity

N/A

ID: 33957

2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H11N3O4

Suppliers	Catalog Number
Matrix Scientific	036706

Database	Data ID
PubChem	7949112

M. W.

297.26554

CAS

Similarity

N/A

ID: 33958

5-nitro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile

$$$$ Data

M. F.

C16H22N4O2

Suppliers	Catalog Number
Matrix Scientific	036707

Database	Data ID
PubChem	17221332

M. W.

302.37148

CAS

Similarity

N/A

ID: 33959

2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C17H14N4O2

Suppliers	Catalog Number
Matrix Scientific	036708

Database	Data ID
PubChem	4780352

M. W.

306.31866

CAS

Similarity

N/A

ID: 33960

2-{[2-(morpholin-4-yl)ethyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H16N4O3

Suppliers	Catalog Number
Matrix Scientific	036709

Database	Data ID
PubChem	3991012

M. W.

276.29114

CAS

Similarity

N/A

ID: 33961

2-[(2,4-dimethoxyphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H13N3O4

Suppliers	Catalog Number
Matrix Scientific	036710

Database	Data ID
PubChem	7923092

M. W.

299.28142

CAS

Similarity

N/A

ID: 33962

5-nitro-2-[(pyridin-2-yl)amino]benzonitrile

$$$$ Data

M. F.

C12H8N4O2

Suppliers	Catalog Number
Matrix Scientific	036711

Database	Data ID
PubChem	17221333

M. W.

240.21752

CAS

Similarity

N/A

ID: 33963

2-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C18H16N4O3

Suppliers	Catalog Number
Matrix Scientific	036712

Database	Data ID
PubChem	17221335

M. W.

336.34464

CAS

Similarity

N/A

ID: 33964

2-[(2-methoxyethyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C10H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036713

Database	Data ID
PubChem	9186182

M. W.

221.21264

CAS

Similarity

N/A

ID: 33965

2-[(3-methoxypropyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C11H13N3O3

Suppliers	Catalog Number
Matrix Scientific	036714

Database	Data ID
PubChem	16379975

M. W.

235.23922

CAS

Similarity

N/A

ID: 33966

2-{[2-(5-fluoro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C17H13FN4O2

Suppliers	Catalog Number
Matrix Scientific	036715

Database	Data ID
PubChem	17221336

M. W.

324.3091232

CAS

Similarity

N/A

ID: 33967

5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]benzonitrile

$$$$ Data

M. F.

C16H15N3O5

Suppliers	Catalog Number
Matrix Scientific	036716

Database	Data ID
PubChem	9279320

M. W.

329.3074

CAS

Similarity

N/A

ID: 33968

2-{[2-(2-methoxyphenoxy)ethyl]amino}-5-nitrobenzonitrile

$$$$ Data

M. F.

C16H15N3O4

Suppliers	Catalog Number
Matrix Scientific	036717

Database	Data ID
PubChem	4779771

M. W.

313.308

CAS

Similarity

N/A

ID: 33969

5-nitro-2-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitrile

$$$$ Data

M. F.

C16H12N6O2

Suppliers	Catalog Number
Matrix Scientific	036718

Database	Data ID
PubChem	17221338

M. W.

320.30548

CAS

Similarity

N/A

ID: 33970

5-nitro-2-(phenylamino)benzonitrile

$$$$ Data

M. F.

C13H9N3O2

Suppliers	Catalog Number
Matrix Scientific	036719

Database	Data ID
PubChem	7923026

M. W.

239.22946

CAS

Similarity

N/A

ID: 33971

2-[(4-methylphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H11N3O2

Suppliers	Catalog Number
Matrix Scientific	036720

Database	Data ID
PubChem	4323548

M. W.

253.25604

CAS

Similarity

N/A

ID: 33972

2-[(3,5-dimethylphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036721

Database	Data ID
PubChem	7410588

M. W.

267.28262

CAS

Similarity

N/A

ID: 33973

2-[(4-chlorophenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036722

Database	Data ID
PubChem	3432333

M. W.

273.67452

CAS

Similarity

N/A

ID: 33974

2-[(4-methoxyphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036723

Database	Data ID
PubChem	5041406

M. W.

269.25544

CAS

Similarity

N/A

ID: 33975

2-[(3-chloro-2-methylphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H10ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036724

Database	Data ID
PubChem	17221354

M. W.

287.7011

CAS

Similarity

N/A

ID: 33976

2-[(4-chloro-2-methylphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C14H10ClN3O2

Suppliers	Catalog Number
Matrix Scientific	036725

Database	Data ID
PubChem	9279736

M. W.

287.7011

CAS

Similarity

N/A

ID: 33977

2-[(2,3-dimethoxyphenyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C15H13N3O4

Suppliers	Catalog Number
Matrix Scientific	036726

Database	Data ID
PubChem	17221356

M. W.

299.28142

CAS

Similarity

N/A

ID: 33978

2-[(3-methylbutyl)amino]-5-nitrobenzonitrile

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036727

Database	Data ID
PubChem	17221358

M. W.

233.2664

CAS

Similarity

N/A

ID: 33979

5-nitro-2-[(4-phenoxyphenyl)amino]benzonitrile

$$$$ Data

M. F.

C19H13N3O3

Suppliers	Catalog Number
Matrix Scientific	036728

Database	Data ID
PubChem	7923048

M. W.

331.32482

CAS

Similarity

N/A

ID: 33980

ethyl 4-(2-cyano-4-nitrophenyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C14H16N4O4

Suppliers	Catalog Number
Matrix Scientific	036729

Database	Data ID
PubChem	4811244

M. W.

304.30124

CAS

Similarity

N/A

ID: 33981

5-nitro-2-[4-(pyridin-2-yl)piperazin-1-yl]benzonitrile

$$$$ Data

M. F.

C16H15N5O2

Suppliers	Catalog Number
Matrix Scientific	036730

Database	Data ID
PubChem	7923100

M. W.

309.3226

CAS

Similarity

N/A

ID: 33982

5-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile

$$$$ Data

M. F.

C16H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036731

Database	Data ID
PubChem	4259909

M. W.

279.29332

CAS

Similarity

N/A

ID: 33983

ethyl 1-(2-cyano-4-nitrophenyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C15H17N3O4

Suppliers	Catalog Number
Matrix Scientific	036732

Database	Data ID
PubChem	9280152

M. W.

303.31318

CAS

Similarity

N/A

ID: 33984

ethyl 1-(2-cyano-4-nitrophenyl)piperidine-3-carboxylate

$$$$ Data

M. F.

C15H17N3O4

Suppliers	Catalog Number
Matrix Scientific	036733

Database	Data ID
PubChem	3989243

M. W.

303.31318

CAS

Similarity

N/A

ID: 33985

2-(3-methylpiperidin-1-yl)-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036734

Database	Data ID
PubChem	4355550

M. W.

245.2771

CAS

Similarity

N/A

ID: 33986

5-nitro-2-[4-(pyrimidin-2-yl)piperazin-1-yl]benzonitrile

$$$$ Data

M. F.

C15H14N6O2

Suppliers	Catalog Number
Matrix Scientific	036735

Database	Data ID
PubChem	4811424

M. W.

310.31066

CAS

Similarity

N/A

ID: 33987

2-(2-methylpiperidin-1-yl)-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036736

Database	Data ID
PubChem	4320144

M. W.

245.2771

CAS

Similarity

N/A

ID: 33988

2-(morpholin-4-yl)-5-nitrobenzonitrile

$$$$ Data More

M. F.

C11H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036737
Key Organics	GA-0706
Apollo Scientific	OR12152

Database	Data ID
PubChem	7410481

M. W.

233.22334

CAS

78252-11-6

Similarity

N/A

ID: 33989

5-nitro-2-(4-phenylpiperazin-1-yl)benzonitrile

$$$$ Data

M. F.

C17H16N4O2

Suppliers	Catalog Number
Matrix Scientific	036738

Database	Data ID
PubChem	3433855

M. W.

308.33454

CAS

Similarity

N/A

ID: 33990

2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile

$$$$ Data

M. F.

C12H14N4O2

Suppliers	Catalog Number
Matrix Scientific	036739
Bide Pharmatech	BD177046
A&J Pharmtech	AJA-O7049

Database	Data ID
PubChem	2905812

M. W.

246.26516

CAS

451459-92-0

Similarity

N/A

ID: 33991

2-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C17H15FN4O2

Suppliers	Catalog Number
Matrix Scientific	036740

Database	Data ID
PubChem	9281188

M. W.

326.3250032

CAS

Similarity

N/A

ID: 33992

2-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C16H14N4O4

Suppliers	Catalog Number
Matrix Scientific	036741

Database	Data ID
PubChem	4811249

M. W.

326.30676

CAS

Similarity

N/A

ID: 33993

2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C19H18N4O4

Suppliers	Catalog Number
Matrix Scientific	036742

Database	Data ID
PubChem	9295835

M. W.

366.37062

CAS

Similarity

N/A

ID: 33994

1-(2-cyano-4-nitrophenyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C13H14N4O3

Suppliers	Catalog Number
Matrix Scientific	036743

Database	Data ID
PubChem	7923079

M. W.

274.27526

CAS

Similarity

N/A

ID: 33995

2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C18H18N4O3

Suppliers	Catalog Number
Matrix Scientific	036744

Database	Data ID
PubChem	4572697

M. W.

338.36052

CAS

Similarity

N/A

ID: 33996

2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C18H18N4O3

Suppliers	Catalog Number
Matrix Scientific	036745

Database	Data ID
PubChem	9181234

M. W.

338.36052

CAS

Similarity

N/A

ID: 33997

2-[4-(4-chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C17H15ClN4O2

Suppliers	Catalog Number
Matrix Scientific	036746

Database	Data ID
PubChem	17221369

M. W.

342.7796

CAS

Similarity

N/A

ID: 33998

5-nitro-2-(pyrrolidin-1-yl)benzonitrile

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Matrix Scientific	036747

Database	Data ID
PubChem	2899490

M. W.

217.22394

CAS

Similarity

N/A

ID: 33999

2-(azepan-1-yl)-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036748

Database	Data ID
PubChem	5138353

M. W.

245.2771

CAS

Similarity

N/A

ID: 34000

2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-nitrobenzonitrile

$$$$ Data

M. F.

C12H10N4O2

Suppliers	Catalog Number
Matrix Scientific	036749

Database	Data ID
PubChem	17221372

M. W.

242.2334

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified