[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-iodanylbenzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H16IN3O3 MolecularWeight: 485.27451

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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=CC=C3I

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H16IN3O3/c22-19-9-5-4-8-18(19)21(27)28-14-20(26)23-15-10-12-17(13-11-15)25-24-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,26)