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SMILES: C1(ON=C(C1)C)(C(=O)O)C Canonical SMILES: CC1(CC(=NO1)C)C(=O)O InChI: InChI=1S/C6H9NO3/c1-4-3-6(2,5(8)9)10-7-4/h3H2,1-2H3,(H,8,9) InChIKey: SKHXMZPMVWJQQE-UHFFFAOYSA-N
CBID:31987 http://www.chembase.cn/molecule-31987.html