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SMILES: c1(c(ncc(c1)Br)N)C(=O)OCC Canonical SMILES: CCOC(=O)c1cc(Br)cnc1N InChI: InChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11) InChIKey: QGADVECLXFPSOE-UHFFFAOYSA-N
CBID:39929 http://www.chembase.cn/molecule-39929.html