[4-[(E)-N-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[(E)-N-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-N-[[2-(4-acetamidoanilino)-2-oxo-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(1E)-1-[[2-(4-acetamidoanilino)-1,2-dioxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-N-[[2-(4-acetamidoanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-N-[[2-(4-acetamidoanilino)-2-keto-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C25H21ClN4O5 MolecularWeight: 492.91104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C(=O)NC1=CC=C(C=C1)NC(=O)C)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C/C(=N\NC(=O)C(=O)NC1=CC=C(C=C1)NC(=O)C)/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H21ClN4O5/c1-15(17-5-13-22(14-6-17)35-25(34)18-3-7-19(26)8-4-18)29-30-24(33)23(32)28-21-11-9-20(10-12-21)27-16(2)31/h3-14H,1-2H3,(H,27,31)(H,28,32)(H,30,33)/b29-15+