(2S)-1-[(4-nitrophenyl)methoxycarbonyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(4-nitrophenyl)methoxycarbonyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-3-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-3-hydroxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-3-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-3-hydroxy-1-(4-nitrobenzyl)oxycarbonyl-proline Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1O)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN([C@@H](C1O)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O7/c16-10-5-6-14(11(10)12(17)18)13(19)22-7-8-1-3-9(4-2-8)15(20)21/h1-4,10-11,16H,5-7H2,(H,17,18)/t10?,11-/m0/s1