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

Systemtic Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(1E)-1-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=NNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C(=N/NC(=O)C3=CC=C(C=C3)N4C=CC=C4)/C

InChI

InChI=1S/C27H23N3O3/c1-19-5-7-23(8-6-19)27(32)33-25-15-11-21(12-16-25)20(2)28-29-26(31)22-9-13-24(14-10-22)30-17-3-4-18-30/h3-18H,1-2H3,(H,29,31)/b28-20+