[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C23H18N6O3 MolecularWeight: 426.42742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C23H18N6O3/c30-22(14-32-23(31)17-6-12-21(13-7-17)29-16-24-15-25-29)26-18-8-10-20(11-9-18)28-27-19-4-2-1-3-5-19/h1-13,15-16H,14H2,(H,26,30)