[3-[(E)-[(4-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [3-[(E)-[(4-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [3-[(E)-[(4-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-[(E)-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(4-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-[(E)-[(4-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C25H18BrN3O3 MolecularWeight: 488.33272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(C=C3)N4C=CC=C4)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)N4C=CC=C4)Br

InChI

InChI=1S/C25H18BrN3O3/c26-23-9-2-1-8-22(23)25(31)32-21-7-5-6-18(16-21)17-27-28-24(30)19-10-12-20(13-11-19)29-14-3-4-15-29/h1-17H,(H,28,30)/b27-17+