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SMILES: c1(cc(no1)CC)C#N Canonical SMILES: CCc1noc(c1)C#N InChI: InChI=1S/C6H6N2O/c1-2-5-3-6(4-7)9-8-5/h3H,2H2,1H3 InChIKey: JDLXCIXVOCNMRJ-UHFFFAOYSA-N
CBID:58594 http://www.chembase.cn/molecule-58594.html