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SMILES: [nH]1c(=O)n(cc(c1=O)C#N)CCCOC Canonical SMILES: COCCCn1cc(C#N)c(=O)[nH]c1=O InChI: InChI=1S/C9H11N3O3/c1-15-4-2-3-12-6-7(5-10)8(13)11-9(12)14/h6H,2-4H2,1H3,(H,11,13,14) InChIKey: QXTVFHWPTHLGGJ-UHFFFAOYSA-N
CBID:40769 http://www.chembase.cn/molecule-40769.html