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SMILES: O=[N+]([O-])c1c(N)ncc(c1)Br Canonical SMILES: Brc1cnc(c(c1)[N+](=O)[O-])N InChI: InChI=1S/C5H4BrN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8) InChIKey: QOOCOFOGYRQPPN-UHFFFAOYSA-N
CBID:9993 http://www.chembase.cn/molecule-9993.html