(2S,4R)-1-(1-methyl-5-nitro-pyrrol-2-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-1-(1-methyl-5-nitro-pyrrol-2-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-4-hydroxy-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-hydroxy-1-(1-methyl-5-nitropyrrole-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(1-methyl-5-nitro-pyrrole-2-carbonyl)pyrrolidine-2-carboxylate Formula: C11H12N3O6- MolecularWeight: 282.22948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2CC(CC2C(=O)[O-])O

Isomeric SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O

InChI

InChI=1S/C11H13N3O6/c1-12-7(2-3-9(12)14(19)20)10(16)13-5-6(15)4-8(13)11(17)18/h2-3,6,8,15H,4-5H2,1H3,(H,17,18)/p-1/t6-,8+/m1/s1