(2R,4S)-1-(3-nitrophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-1-(3-nitrophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-4-hydroxy-1-(3-nitrobenzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-4-hydroxy-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-4-hydroxy-1-(3-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-4-hydroxy-1-(3-nitrobenzoyl)proline Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

C1[C@@H](CN([C@H]1C(=O)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H12N2O6/c15-9-5-10(12(17)18)13(6-9)11(16)7-2-1-3-8(4-7)14(19)20/h1-4,9-10,15H,5-6H2,(H,17,18)/t9-,10+/m0/s1