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SMILES: n1c(ccc(=O)[nH]1)C.O Canonical SMILES: Cc1ccc(=O)[nH]n1.O InChI: InChI=1S/C5H6N2O.H2O/c1-4-2-3-5(8)7-6-4;/h2-3H,1H3,(H,7,8);1H2 InChIKey: DPIVSCHNBCFVEA-UHFFFAOYSA-N
CBID:79048 http://www.chembase.cn/molecule-79048.html