[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [4-(2-chloranyl-6-nitro-phenoxy)phenyl]methyl (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(2-chloro-6-nitro-phenoxy)phenyl]methyl (3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(2-chloro-6-nitrophenoxy)phenyl]methyl ester IUPAC Name: [4-(2-chloro-6-nitrophenoxy)phenyl]methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [4-(2-chloro-6-nitro-phenoxy)benzyl] ester Formula: C25H21ClN2O6 MolecularWeight: 480.89704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN2O6/c1-16-5-9-19(10-6-16)27-14-18(13-23(27)29)25(30)33-15-17-7-11-20(12-8-17)34-24-21(26)3-2-4-22(24)28(31)32/h2-12,18H,13-15H2,1H3/t18-/m1/s1