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SMILES: c1(cc2c(nccc2[nH]1)Br)C(=O)OC Canonical SMILES: COC(=O)c1cc2c([nH]1)ccnc2Br InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3 InChIKey: ITZFLYIVVIQWBD-UHFFFAOYSA-N
CBID:802193 http://www.chembase.cn/molecule-802193.html