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SMILES: COC(=O)c1c[nH]nc1I Canonical SMILES: COC(=O)c1c[nH]nc1I InChI: InChI=1S/C5H5IN2O2/c1-10-5(9)3-2-7-8-4(3)6/h2H,1H3,(H,7,8) InChIKey: OAQLNZCSEWCVLQ-UHFFFAOYSA-N
CBID:292959 http://www.chembase.cn/molecule-292959.html