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

Systemtic Name: (2R,4S)-4-methoxy-1-(4-nitrophenyl)carbonyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-4-methoxy-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-methoxy-1-[(4-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-4-methoxy-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-methoxy-1-(4-nitrobenzoyl)pyrrolidine-2-carboxylate Formula: C13H13N2O6- MolecularWeight: 293.25212

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-21-10-6-11(13(17)18)14(7-10)12(16)8-2-4-9(5-3-8)15(19)20/h2-5,10-11H,6-7H2,1H3,(H,17,18)/p-1/t10-,11+/m0/s1