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Reference substances

Reference substances

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IUPAC name:
1,3-dimethyl 5-[(E)-2-{2-oxo-1-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]propyl}diazen-1-yl]benzene-1,3-dicarboxylate

Inventory

EC number:
249-955-7
EC name:
Dimethyl 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azoterephthalate
CAS number:
29920-31-8
CAS number:
29920-31-8
Synonyms
Names:
1,3-Benzenedicarboxylic acid, 5- 1- (2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino carbonyl -2-oxop
1,3-Benzenedicarboxylic acid, 5-[[1-[[(2,3-dihydro-2-oxo- 1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl ]azo]-, dimethyl ester
1,3-Benzenedicarboxylic acid, 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-, dimethyl ester
Identifier:
IUPAC name
1,3-dimethyl 5-[(E)-2-{2-oxo-1-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]propyl}diazen-1-yl]benzene-1,3-dicarboxylate
dimethyl 5-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)isophthalate

Molecular and structural information

Molecular formula:
C21H19N5O7
Molecular weight:
453.405
SMILES notation:
COC(=O)c1cc(cc(c1)C(=O)OC)N=NC(C(=O)C)C(=O)Nc2ccc3NC(=O)Nc3c2
InChl:
InChI=1/C21H19N5O7/c1-10(27)17(18(28)22-13-4-5-15-16(9-13)24-21(31)23-15)26-25-14-7-11(19(29)32-2)6-12(8-14)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)
Structural formula:
Chemical structure

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