O1-ethyl O4-methyl 3-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-2-(phenylcarbonyl)butanedioate

Systemtic Name: O1-ethyl O4-methyl 3-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]-2-(phenylcarbonyl)butanedioate Openeye Name: O1-ethyl O4-methyl 2-benzoyl-3-[1-[(3-nitro-2-pyridyl)azo]ethyl]butanedioate CAS Name: 2-benzoyl-3-[1-[(3-nitro-2-pyridinyl)azo]ethyl]butanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 2-benzoyl-3-[1-[(3-nitropyridin-2-yl)diazenyl]ethyl]butanedioate Traditional Name: 2-benzoyl-3-[1-[(3-nitro-2-pyridyl)azo]ethyl]succinic acid O1-ethyl ester O4-methyl ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)N=NC1=C(C=CC=N1)[N+](=O)[O-])C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C(C)N=NC1=C(C=CC=N1)[N+](=O)[O-])C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N4O7/c1-4-32-21(28)17(18(26)14-9-6-5-7-10-14)16(20(27)31-3)13(2)23-24-19-15(25(29)30)11-8-12-22-19/h5-13,16-17H,4H2,1-3H3