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SMILES: C(=O)(OC)C=Cc1c(ncc(c1)Br)N Canonical SMILES: COC(=O)C=Cc1cc(Br)cnc1N InChI: InChI=1S/C9H9BrN2O2/c1-14-8(13)3-2-6-4-7(10)5-12-9(6)11/h2-5H,1H3,(H2,11,12) InChIKey: WJNCXHOWXDOKDL-UHFFFAOYSA-N
CBID:800432 http://www.chembase.cn/molecule-800432.html