[2-[(2S)-butan-2-yl]phenyl] (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2S)-butan-2-yl]phenyl] (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(1S)-1-methylpropyl]phenyl] (3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [2-[(2S)-butan-2-yl]phenyl] (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid [2-[(1S)-1-methylpropyl]phenyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-3-14(2)18-6-4-5-7-19(18)28-21(25)15-12-20(24)22(13-15)16-8-10-17(11-9-16)23(26)27/h4-11,14-15H,3,12-13H2,1-2H3/t14-,15-/m0/s1