(2S,4R)-1-(1-methyl-4-nitro-pyrrol-2-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-1-(1-methyl-4-nitro-pyrrol-2-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-4-hydroxy-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-hydroxy-1-(1-methyl-4-nitropyrrole-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate Formula: C11H12N3O6- MolecularWeight: 282.22948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CC(CC2C(=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6/c1-12-4-6(14(19)20)2-8(12)10(16)13-5-7(15)3-9(13)11(17)18/h2,4,7,9,15H,3,5H2,1H3,(H,17,18)/p-1/t7-,9+/m1/s1