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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C24H20N6O3 MolecularWeight: 440.454

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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)CN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C24H20N6O3/c31-23(27-20-10-12-22(13-11-20)29-28-21-4-2-1-3-5-21)15-33-24(32)19-8-6-18(7-9-19)14-30-17-25-16-26-30/h1-13,16-17H,14-15H2,(H,27,31)