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SMILES: c1cc[nH]c1C(=O)CC#N Canonical SMILES: N#CCC(=O)c1ccc[nH]1 InChI: InChI=1S/C7H6N2O/c8-4-3-7(10)6-2-1-5-9-6/h1-2,5,9H,3H2 InChIKey: LMNWETGSSJEVSH-UHFFFAOYSA-N
CBID:42898 http://www.chembase.cn/molecule-42898.html