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SMILES: c1(c[nH]c(=O)cc1)C#N Canonical SMILES: N#Cc1ccc(=O)[nH]c1 InChI: InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9) InChIKey: CCQUUHVUQQFTGV-UHFFFAOYSA-N
CBID:40937 http://www.chembase.cn/molecule-40937.html