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SMILES: c1(cc(ncc1Br)N)C=O Canonical SMILES: O=Cc1cc(N)ncc1Br InChI: InChI=1S/C6H5BrN2O/c7-5-2-9-6(8)1-4(5)3-10/h1-3H,(H2,8,9) InChIKey: ROXOZQZSLLXFQY-UHFFFAOYSA-N
CBID:801125 http://www.chembase.cn/molecule-801125.html