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SMILES: c1(c(=O)c(c[nH]c1CN)C)C Canonical SMILES: Cc1c(CN)[nH]cc(c1=O)C InChI: InChI=1S/C8H12N2O/c1-5-4-10-7(3-9)6(2)8(5)11/h4H,3,9H2,1-2H3,(H,10,11) InChIKey: FRFBKMMQVOHTOP-UHFFFAOYSA-N
CBID:308649 http://www.chembase.cn/molecule-308649.html