methyl (2S,4R)-1-(2-nitrophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(2-nitrophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C(=O)C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C13H14N2O6/c1-21-13(18)11-6-8(16)7-14(11)12(17)9-4-2-3-5-10(9)15(19)20/h2-5,8,11,16H,6-7H2,1H3/t8-,11+/m1/s1