(4-nitrophenyl) (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-nitrophenyl) (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-nitrophenyl) (3S)-1-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O5/c1-11-15(19)3-2-4-16(11)20-10-12(9-17(20)22)18(23)26-14-7-5-13(6-8-14)21(24)25/h2-8,12H,9-10H2,1H3/t12-/m0/s1