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SMILES: [nH]1c(cc(c1)C=O)C#N Canonical SMILES: O=Cc1c[nH]c(c1)C#N InChI: InChI=1S/C6H4N2O/c7-2-6-1-5(4-9)3-8-6/h1,3-4,8H InChIKey: ALCKOBMBDNOFLG-UHFFFAOYSA-N
CBID:309943 http://www.chembase.cn/molecule-309943.html