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

Systemtic Name: methyl 3-ethanoyl-2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 3-acetyl-2-[1-[(3-nitro-2-pyridyl)azo]ethyl]-4-oxo-pentanoate CAS Name: 3-acetyl-2-[1-[(3-nitro-2-pyridinyl)azo]ethyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 3-acetyl-2-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-4-oxopentanoate Traditional Name: 3-acetyl-4-keto-2-[1-[(3-nitro-2-pyridyl)azo]ethyl]valeric acid methyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)C)C(=O)C)C(=O)OC)N=NC1=C(C=CC=N1)[N+](=O)[O-]

Isomeric SMILES

CC(C(C(C(=O)C)C(=O)C)C(=O)OC)N=NC1=C(C=CC=N1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-8(12(15(22)25-4)13(9(2)20)10(3)21)17-18-14-11(19(23)24)6-5-7-16-14/h5-8,12-13H,1-4H3