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SMILES: c1(ccc2[nH]c(nc2c1)C(=O)OC)Br Canonical SMILES: COC(=O)c1nc2c([nH]1)ccc(c2)Br InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H,11,12) InChIKey: NRTHYMUOIGVFMM-UHFFFAOYSA-N
CBID:65140 http://www.chembase.cn/molecule-65140.html