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

Systemtic Name: methyl 2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxidanylidene-3-(phenylcarbonyl)pentanoate Openeye Name: methyl 3-benzoyl-2-[1-[(3-nitro-2-pyridyl)azo]ethyl]-4-oxo-pentanoate CAS Name: 3-benzoyl-2-[1-[(3-nitro-2-pyridinyl)azo]ethyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 3-benzoyl-2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxopentanoate Traditional Name: 3-benzoyl-4-keto-2-[1-[(3-nitro-2-pyridyl)azo]ethyl]valeric acid methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)C)C(=O)C1=CC=CC=C1)C(=O)OC)N=NC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(C(C(=O)C)C(=O)C1=CC=CC=C1)C(=O)OC)N=NC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-12(22-23-19-15(24(28)29)10-7-11-21-19)16(20(27)30-3)17(13(2)25)18(26)14-8-5-4-6-9-14/h4-12,16-17H,1-3H3