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SMILES: n1(nc(cc1C)C)C(C(=O)O)C Canonical SMILES: OC(=O)C(n1nc(cc1C)C)C InChI: InChI=1S/C8H12N2O2/c1-5-4-6(2)10(9-5)7(3)8(11)12/h4,7H,1-3H3,(H,11,12) InChIKey: VLJUREBBXZBMFQ-UHFFFAOYSA-N
CBID:30238 http://www.chembase.cn/molecule-30238.html