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SMILES: c1(C(=O)O)cnc(nc1)C(C)C Canonical SMILES: CC(c1ncc(cn1)C(=O)O)C InChI: InChI=1S/C8H10N2O2/c1-5(2)7-9-3-6(4-10-7)8(11)12/h3-5H,1-2H3,(H,11,12) InChIKey: UDIFLHTYAHFUAJ-UHFFFAOYSA-N
CBID:31905 http://www.chembase.cn/molecule-31905.html