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

Systemtic Name: [2-[(E)-C-methyl-N-[(2-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 2-methylbenzoate Openeye Name: [2-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[(1E)-1-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=NNC(=O)C3=CC=CC=C3N4C=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=CC=C2/C(=N/NC(=O)C3=CC=CC=C3N4C=CC=C4)/C

InChI

InChI=1S/C27H23N3O3/c1-19-11-3-4-12-21(19)27(32)33-25-16-8-6-13-22(25)20(2)28-29-26(31)23-14-5-7-15-24(23)30-17-9-10-18-30/h3-18H,1-2H3,(H,29,31)/b28-20+