(phenylmethyl) (2S)-2-[[3-(4-nitrophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(4-nitrophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(4-nitrophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(4-nitrophenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(4-nitrophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(4-nitrophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O5/c29-24(23-10-5-15-27(23)25(30)33-17-18-6-2-1-3-7-18)26-21-9-4-8-20(16-21)19-11-13-22(14-12-19)28(31)32/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,26,29)/t23-/m0/s1