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

Systemtic Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 2-bromanylbenzoate Openeye Name: [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C26H20BrN3O3 MolecularWeight: 502.3593

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)N2C=CC=C2)C3=CC=CC=C3OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)N2C=CC=C2)/C3=CC=CC=C3OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C26H20BrN3O3/c1-18(28-29-25(31)19-12-14-20(15-13-19)30-16-6-7-17-30)21-8-3-5-11-24(21)33-26(32)22-9-2-4-10-23(22)27/h2-17H,1H3,(H,29,31)/b28-18+