Chem
J-GLOBAL ID:200907027196895332   Nikkaji number:J249.352G

3,3′-[2,3-Dimethoxy-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[4-(2-chloroethyl)phenyl]-2-chlorobenzamide]

3,3′-[2,3-ジメトキシ-1,4-フェニレンビス[イミノカルボニル(アセチルメチレン)アゾ]]ビス[N-[4-(2-クロロエチル)フェニル]-2-クロロベンズアミド]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C46H42Cl4N8O8
Molecular formula furigana: C46-H42-CL4-N8-O8
Molecular weight: 976.690
InChI: InChI=1S/C46H42Cl4N8O8/c1-25(59)39(57-55-33-9-5-7-31(37(33)49)43(61)51-29-15-11-27(12-16-29)21-23-47)45(63)53-35-19-20-36(42(66-4)41(35)65-3)54-46(64)40(26(2)60)58-56-34-10-6-8-32(38(34)50)44(62)52-30-17-13-28(14-18-30)22-24-48/h5-20,39-40H,21-24H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)
InChI key: HRAXHCLSDOCDQO-UHFFFAOYSA-N
SMILES: COc1c(NC(=O)C(N=Nc2cccc(C(=O)Nc3ccc(CCCl)cc3)c2Cl)C(=O)C)ccc(NC(=O)C(N=Nc2cccc(C(=O)Nc3ccc(CCCl)cc3)c2Cl)C(=O)C)c1OC
Systematic name  (3):
  • 3,3′-[2,3-ジメトキシ-1,4-フェニレンビス[イミノカルボニル(アセチルメチレン)アゾ]]ビス[N-[4-(2-クロロエチル)フェニル]-2-クロロベンズアミド]
  • 2-クロロ-3-(2-{1-[(4-{2-[2-(2-クロロ-3-{[4-(2-クロロエチル)フェニル]カルバモイル}フェニル)ジアゼン-1-イル]-3-オキソブタンアミド}-2,3-ジメトキシフェニル)カルバモイル]-2-オキソプロピル}ジアゼン-1-イル)-N-[4-(2-クロロエチル)フェニル]ベンズアミド
  • 2-chloro-3-(2-{1-[(4-{2-[2-(2-chloro-3-{[4-(2-chloroethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-2,3-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[4-(2-chloroethyl)phenyl]benzamide
Other name (1):
  • 3,3′-[2,3-Dimethoxy-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[4-(2-chloroethyl)phenyl]-2-chlorobenzamide]
Regulation number (1):
  • (3)-3023
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