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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C25H21N5O3 MolecularWeight: 439.46594

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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=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3/c31-24(27-21-11-13-23(14-12-21)29-28-22-5-2-1-3-6-22)18-33-25(32)20-9-7-19(8-10-20)17-30-16-4-15-26-30/h1-16H,17-18H2,(H,27,31)