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

Systemtic Name: [4-[(E)-C-methyl-N-[(2-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] benzoate Openeye Name: [4-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate CAS Name: benzoic acid [4-[(1E)-1-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C26H21N3O3 MolecularWeight: 423.46324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1N2C=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1N2C=CC=C2)/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O3/c1-19(20-13-15-22(16-14-20)32-26(31)21-9-3-2-4-10-21)27-28-25(30)23-11-5-6-12-24(23)29-17-7-8-18-29/h2-18H,1H3,(H,28,30)/b27-19+