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SMILES: c1c(ncc(n1)C(=O)O)C(=O)O.O.O Canonical SMILES: OC(=O)c1ncc(nc1)C(=O)O.O.O InChI: InChI=1S/C6H4N2O4.2H2O/c9-5(10)3-1-7-4(2-8-3)6(11)12;;/h1-2H,(H,9,10)(H,11,12);2*1H2 InChIKey: GVEVNOSZLMMBOR-UHFFFAOYSA-N
CBID:148166 http://www.chembase.cn/molecule-148166.html