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SMILES: c1(c(cnc(c1)OC)C=O)Br Canonical SMILES: COc1ncc(c(c1)Br)C=O InChI: InChI=1S/C7H6BrNO2/c1-11-7-2-6(8)5(4-10)3-9-7/h2-4H,1H3 InChIKey: NMFGUYGKQSQZLK-UHFFFAOYSA-N
CBID:814743 http://www.chembase.cn/molecule-814743.html