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SMILES: [nH]1c(c(cc(c1=O)C#N)Cl)C(C)C Canonical SMILES: N#Cc1cc(Cl)c([nH]c1=O)C(C)C InChI: InChI=1S/C9H9ClN2O/c1-5(2)8-7(10)3-6(4-11)9(13)12-8/h3,5H,1-2H3,(H,12,13) InChIKey: XBNVGZMURDWNGJ-UHFFFAOYSA-N
CBID:50794 http://www.chembase.cn/molecule-50794.html