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SMILES: c1(c(c(c([nH]c1=O)C)Br)C)C#N Canonical SMILES: N#Cc1c(=O)[nH]c(c(c1C)Br)C InChI: InChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12) InChIKey: DFGKQCOFARYQOA-UHFFFAOYSA-N
CBID:41200 http://www.chembase.cn/molecule-41200.html