[2-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 4-chloranylbenzoate Openeye Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(1E)-1-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C26H20ClN3O3 MolecularWeight: 457.9083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)N2C=CC=C2)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)N2C=CC=C2)/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClN3O3/c1-18(28-29-25(31)19-10-14-22(15-11-19)30-16-4-5-17-30)23-6-2-3-7-24(23)33-26(32)20-8-12-21(27)13-9-20/h2-17H,1H3,(H,29,31)/b28-18+