[2-[(E)-N-[[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 3-chloranylbenzoate

Systemtic Name: [2-[(E)-N-[[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 3-chloranylbenzoate Openeye Name: [2-[(E)-N-[[2-(3,5-dimethylanilino)-2-oxo-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(1E)-1-[[2-(3,5-dimethylanilino)-1,2-dioxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-[(E)-N-[[2-(3,5-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[(E)-N-[[2-(3,5-dimethylanilino)-2-keto-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C25H22ClN3O4 MolecularWeight: 463.91288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=O)NN=C(C)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(=O)N/N=C(\C)/C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C25H22ClN3O4/c1-15-11-16(2)13-20(12-15)27-23(30)24(31)29-28-17(3)21-9-4-5-10-22(21)33-25(32)18-7-6-8-19(26)14-18/h4-14H,1-3H3,(H,27,30)(H,29,31)/b28-17+