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

Systemtic Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 2-methoxybenzoate Openeye Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic 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] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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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=CC=C4OC

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)N2C=CC=C2)/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H23N3O4/c1-19(28-29-26(31)21-9-13-22(14-10-21)30-17-5-6-18-30)20-11-15-23(16-12-20)34-27(32)24-7-3-4-8-25(24)33-2/h3-18H,1-2H3,(H,29,31)/b28-19+