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

Systemtic Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylphenyl)carbonylamino]carbonimidoyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic 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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] ester Formula: C26H20N4O5 MolecularWeight: 468.4608

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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=C4[N+](=O)[O-]

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=C4[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O5/c1-18(27-28-25(31)20-8-12-21(13-9-20)29-16-4-5-17-29)19-10-14-22(15-11-19)35-26(32)23-6-2-3-7-24(23)30(33)34/h2-17H,1H3,(H,28,31)/b27-18+