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

Systemtic Name: [2-methoxy-4-[C-methyl-N-[(2-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[1-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-[C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4/c1-19(28-29-26(31)22-12-6-7-13-23(22)30-16-8-9-17-30)21-14-15-24(25(18-21)33-2)34-27(32)20-10-4-3-5-11-20/h3-18H,1-2H3,(H,29,31)