1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester

1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester



Chemical identification
CAS identifier68516-73-4
Pubchem identifier109448
DSSTox identifierDTXSID20867657
IUPAC namedimethyl 2-[[1-[4-[[2-[[2,5-bis(methoxycarbonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate
Structure1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCOC(=O)c1ccc(cc1/N=N/C(C(=O)C)C(=O)Nc1ccc(cc1)NC(=O)C(C(=O)C)/N=N/c1cc(ccc1C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C34H32N6O12/c1-17(41)27(39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)29(43)35-21-9-11-22(12-10-21)36-30(44)28(18(2)42)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28H,1-6H3,(H,35,43)(H,36,44)/b39-37+,40-38+
InChIKeyBZKXDIAAIOXKAH-HVMBLDELSA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
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