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SMILES: n1[nH]c(cc1C=O)CC(C)C Canonical SMILES: O=Cc1cc([nH]n1)CC(C)C InChI: InChI=1S/C8H12N2O/c1-6(2)3-7-4-8(5-11)10-9-7/h4-6H,3H2,1-2H3,(H,9,10) InChIKey: DCIFDEWXDNLKEA-UHFFFAOYSA-N
CBID:306663 http://www.chembase.cn/molecule-306663.html