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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5/c26-20(14-30-21(27)15-6-12-19(13-7-15)25(28)29)22-16-8-10-18(11-9-16)24-23-17-4-2-1-3-5-17/h1-13H,14H2,(H,22,26)