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

Systemtic Name: [4-[(E)-N-[[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-N-[[2-[4-(cyanomethyl)anilino]-2-oxo-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(1E)-1-[[2-[4-(cyanomethyl)anilino]-1,2-dioxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-N-[[2-[4-(cyanomethyl)anilino]-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-N-[[2-[4-(cyanomethyl)anilino]-2-keto-acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C25H19ClN4O4 MolecularWeight: 474.89576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C(=O)NC1=CC=C(C=C1)CC#N)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)CC#N)/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H19ClN4O4/c1-16(29-30-24(32)23(31)28-21-10-2-17(3-11-21)14-15-27)18-6-12-22(13-7-18)34-25(33)19-4-8-20(26)9-5-19/h2-13H,14H2,1H3,(H,28,31)(H,30,32)/b29-16+