(4-nitrophenyl)methyl 2-(acetamidomethyl)-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(acetamidomethyl)-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(acetamidomethyl)-4-benzoyloxy-pyrrolidine-1-carboxylate CAS Name: 2-(acetamidomethyl)-4-benzoyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(acetamidomethyl)-4-benzoyloxypyrrolidine-1-carboxylate Traditional Name: 2-(acetamidomethyl)-4-benzoyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O7/c1-15(26)23-12-19-11-20(32-21(27)17-5-3-2-4-6-17)13-24(19)22(28)31-14-16-7-9-18(10-8-16)25(29)30/h2-10,19-20H,11-14H2,1H3,(H,23,26)