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SMILES: c1(cnc(c(c1)OC)C(=O)O)Br Canonical SMILES: COc1cc(Br)cnc1C(=O)O InChI: InChI=1S/C7H6BrNO3/c1-12-5-2-4(8)3-9-6(5)7(10)11/h2-3H,1H3,(H,10,11) InChIKey: UTRZGSGCVSZCCL-UHFFFAOYSA-N
CBID:32955 http://www.chembase.cn/molecule-32955.html