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

Systemtic Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 2-methylbenzoate Openeye Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=NNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=CC=C2/C(=N/NC(=O)C3=CC=C(C=C3)N4C=CC=C4)/C

InChI

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