(4-tert-butylphenyl) (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-tert-butylphenyl) (3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid (4-tert-butylphenyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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