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SMILES: c1cc2c(cc1C(=O)CC#N)CCCC2 Canonical SMILES: N#CCC(=O)c1ccc2c(c1)CCCC2 InChI: InChI=1S/C13H13NO/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7H2 InChIKey: MMCQHIGQRVUVMS-UHFFFAOYSA-N
CBID:140005 http://www.chembase.cn/molecule-140005.html