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SMILES: c1(cnc(c(c1)N)C(=O)O)Br Canonical SMILES: Brc1cnc(c(c1)N)C(=O)O InChI: InChI=1S/C6H5BrN2O2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,8H2,(H,10,11) InChIKey: GXXIHPZAIYKHGG-UHFFFAOYSA-N
CBID:54445 http://www.chembase.cn/molecule-54445.html