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SMILES: c1(c(cc([nH]c1=O)CC)C(=O)OCC)C#N Canonical SMILES: CCOC(=O)c1cc(CC)[nH]c(=O)c1C#N InChI: InChI=1S/C11H12N2O3/c1-3-7-5-8(11(15)16-4-2)9(6-12)10(14)13-7/h5H,3-4H2,1-2H3,(H,13,14) InChIKey: NLZXUSXZGVQQLQ-UHFFFAOYSA-N
CBID:248856 http://www.chembase.cn/molecule-248856.html