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

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] (3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid (4-tert-amylphenyl) ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-4-22(2,3)16-5-11-19(12-6-16)29-21(26)15-13-20(25)23(14-15)17-7-9-18(10-8-17)24(27)28/h5-12,15H,4,13-14H2,1-3H3/t15-/m0/s1