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SMILES: c1(c(=O)[nH]c2c(c1)CC(CC2)CCC)C#N Canonical SMILES: CCCC1Cc2cc(C#N)c(=O)[nH]c2CC1 InChI: InChI=1S/C13H16N2O/c1-2-3-9-4-5-12-10(6-9)7-11(8-14)13(16)15-12/h7,9H,2-6H2,1H3,(H,15,16) InChIKey: VRGPJXPSLBUITF-UHFFFAOYSA-N
CBID:270725 http://www.chembase.cn/molecule-270725.html