[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-dimethylaminophenyl)azobenzoate CAS Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O5/c1-27(2)18-12-10-16(11-13-18)25-26-21-9-4-3-8-20(21)23(30)33-15-22(29)24-17-6-5-7-19(14-17)28(31)32/h3-14H,15H2,1-2H3,(H,24,29)