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

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methyl-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] (3S)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methyl-3-nitro-phenyl)pyrrolidine-3-carboxylic acid (4-tert-amylphenyl) ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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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)C)[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)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-5-23(3,4)17-7-10-19(11-8-17)30-22(27)16-12-21(26)24(14-16)18-9-6-15(2)20(13-18)25(28)29/h6-11,13,16H,5,12,14H2,1-4H3/t16-/m0/s1