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SMILES: O=C(OCC)/C(=c/1\ccc(Br)c[nH]1)/C#N Canonical SMILES: CCOC(=O)/C(=c/1\ccc(c[nH]1)Br)/C#N InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8(5-12)9-4-3-7(11)6-13-9/h3-4,6,13H,2H2,1H3/b9-8+ InChIKey: BYOLLNBSJYJESH-CMDGGOBGSA-N
CBID:290918 http://www.chembase.cn/molecule-290918.html