[(3R)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (3S)-3-(4-chlorophenyl)-4-nitro-butanoate

Systemtic Name: [(3R)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (3S)-3-(4-chlorophenyl)-4-nitro-butanoate Openeye Name: [(3R)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl] (3S)-3-(4-chlorophenyl)-4-nitro-butanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-nitrobutanoic acid [(3R)-4,4-dimethyl-2-oxo-1-phenyl-3-pyrrolidinyl] ester IUPAC Name: [(3R)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl] (3S)-3-(4-chlorophenyl)-4-nitrobutanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-nitro-butyric acid [(3R)-2-keto-4,4-dimethyl-1-phenyl-pyrrolidin-3-yl] ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C1OC(=O)CC(C[N+](=O)[O-])C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CN(C(=O)[C@@H]1OC(=O)C[C@H](C[N+](=O)[O-])C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23ClN2O5/c1-22(2)14-24(18-6-4-3-5-7-18)21(27)20(22)30-19(26)12-16(13-25(28)29)15-8-10-17(23)11-9-15/h3-11,16,20H,12-14H2,1-2H3/t16-,20+/m1/s1