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

Systemtic Name: [2-[(E)-[(4-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [2-[(E)-[(4-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(E)-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(E)-[(4-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2C=NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2/C=N/NC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C26H21N3O3/c1-19-7-6-9-21(17-19)26(31)32-24-10-3-2-8-22(24)18-27-28-25(30)20-11-13-23(14-12-20)29-15-4-5-16-29/h2-18H,1H3,(H,28,30)/b27-18+