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SMILES: c1(nc2c([nH]1)ccc(c2)Br)CC(=O)OCC Canonical SMILES: CCOC(=O)Cc1nc2c([nH]1)ccc(c2)Br InChI: InChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-13-8-4-3-7(12)5-9(8)14-10/h3-5H,2,6H2,1H3,(H,13,14) InChIKey: OVKDENCAYGBXKN-UHFFFAOYSA-N
CBID:54711 http://www.chembase.cn/molecule-54711.html