[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O6/c1-12-3-5-15(6-4-12)24-11-14(9-19(24)26)21(28)31-13(2)20(27)23-18-8-7-16(25(29)30)10-17(18)22/h3-8,10,13-14H,9,11H2,1-2H3,(H,23,27)