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SMILES: c12n(ncc2Br)ccc(=O)[nH]1 Canonical SMILES: O=c1ccn2c([nH]1)c(Br)cn2 InChI: InChI=1S/C6H4BrN3O/c7-4-3-8-10-2-1-5(11)9-6(4)10/h1-3H,(H,9,11) InChIKey: ZBAOMHWFUFZVNN-UHFFFAOYSA-N
CBID:50835 http://www.chembase.cn/molecule-50835.html