O1-ethyl O4-methyl 3-ethanoyl-2-[(4-nitrophenyl)-[(3-nitropyridin-2-yl)diazenyl]methyl]butanedioate

Systemtic Name: O1-ethyl O4-methyl 3-ethanoyl-2-[(4-nitrophenyl)-[(3-nitropyridin-2-yl)diazenyl]methyl]butanedioate Openeye Name: O1-ethyl O4-methyl 3-acetyl-2-[(4-nitrophenyl)-[(3-nitro-2-pyridyl)azo]methyl]butanedioate CAS Name: 3-acetyl-2-[(4-nitrophenyl)-[(3-nitro-2-pyridinyl)azo]methyl]butanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 3-acetyl-2-[(4-nitrophenyl)-[(3-nitropyridin-2-yl)diazenyl]methyl]butanedioate Traditional Name: 3-acetyl-2-[(4-nitrophenyl)-[(3-nitro-2-pyridyl)azo]methyl]succinic acid O1-ethyl ester O4-methyl ester Formula: C21H21N5O9 MolecularWeight: 487.41954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O9/c1-4-35-21(29)17(16(12(2)27)20(28)34-3)18(13-7-9-14(10-8-13)25(30)31)23-24-19-15(26(32)33)6-5-11-22-19/h5-11,16-18H,4H2,1-3H3