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SMILES: n1(nc(cc1C)C)CCC(=O)O Canonical SMILES: Cc1cc(nn1CCC(=O)O)C InChI: InChI=1S/C8H12N2O2/c1-6-5-7(2)10(9-6)4-3-8(11)12/h5H,3-4H2,1-2H3,(H,11,12) InChIKey: PKTDVEIIOHCFMB-UHFFFAOYSA-N
CBID:14193 http://www.chembase.cn/molecule-14193.html