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

Systemtic Name: [2-methoxy-4-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 4-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-4-[(1E)-1-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methoxy-4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C27H22N4O6 MolecularWeight: 498.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)N2C=CC=C2)C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)N2C=CC=C2)/C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H22N4O6/c1-18(28-29-26(32)19-5-10-22(11-6-19)30-15-3-4-16-30)21-9-14-24(25(17-21)36-2)37-27(33)20-7-12-23(13-8-20)31(34)35/h3-17H,1-2H3,(H,29,32)/b28-18+