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SMILES: N#Cc1ccc[nH]c1=O Canonical SMILES: O=c1c(ccc[nH]1)C#N InChI: InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9) InChIKey: DYUMBFTYRJMAFK-UHFFFAOYSA-N
CBID:78982 http://www.chembase.cn/molecule-78982.html