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SMILES: c1cc(c2c(c1)c(ccn2)C(=O)O)Br Canonical SMILES: OC(=O)c1ccnc2c1cccc2Br InChI: InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-7(10(13)14)4-5-12-9(6)8/h1-5H,(H,13,14) InChIKey: HLEBPQHZLBSIJC-UHFFFAOYSA-N
CBID:52790 http://www.chembase.cn/molecule-52790.html