methyl 2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxidanylidene-4-phenyl-3-(phenylcarbonyl)butanoate

Systemtic Name: methyl 2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxidanylidene-4-phenyl-3-(phenylcarbonyl)butanoate Openeye Name: methyl 3-benzoyl-2-[1-[(3-nitro-2-pyridyl)azo]ethyl]-4-oxo-4-phenyl-butanoate CAS Name: 3-benzoyl-2-[1-[(3-nitro-2-pyridinyl)azo]ethyl]-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 3-benzoyl-2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxo-4-phenylbutanoate Traditional Name: 3-benzoyl-4-keto-2-[1-[(3-nitro-2-pyridyl)azo]ethyl]-4-phenyl-butyric acid methyl ester Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC)N=NC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC)N=NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6/c1-16(27-28-24-19(29(33)34)14-9-15-26-24)20(25(32)35-2)21(22(30)17-10-5-3-6-11-17)23(31)18-12-7-4-8-13-18/h3-16,20-21H,1-2H3