Chem
J-GLOBAL ID:200907048975754114   Nikkaji number:J185.366J

3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(1-chloroethyl)-4-ethoxyphenyl]-5-chlorobenzamide]

3,3′-[2-(2-クロロエチル)-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-[3-(1-クロロエチル)-4-エトキシフェニル]-5-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: C50H49Cl5N8O8
Molecular formula furigana: C50-H49-CL5-N8-O8
Molecular weight: 1067.240
InChI: InChI=1S/C50H49Cl5N8O8/c1-7-70-43-13-10-36(24-40(43)26(3)52)56-47(66)31-17-33(54)22-38(20-31)60-62-45(28(5)64)49(68)58-35-9-12-42(30(19-35)15-16-51)59-50(69)46(29(6)65)63-61-39-21-32(18-34(55)23-39)48(67)57-37-11-14-44(71-8-2)41(25-37)27(4)53/h9-14,17-27,45-46H,7-8,15-16H2,1-6H3,(H,56,66)(H,57,67)(H,58,68)(H,59,69)
InChI key: LPOWVJVCDBPFSH-UHFFFAOYSA-N
SMILES: CCOc1ccc(NC(=O)c2cc(Cl)cc(c2)N=NC(C(=O)C)C(=O)Nc2ccc(NC(=O)C(N=Nc3cc(Cl)cc(c3)C(=O)Nc3ccc(OCC)c(c3)C(C)Cl)C(=O)C)c(CCCl)c2)cc1C(C)Cl
Systematic name  (3):
  • 3,3′-[2-(2-クロロエチル)-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-[3-(1-クロロエチル)-4-エトキシフェニル]-5-クロロベンズアミド]
  • 3-クロロ-5-(2-{1-[(4-{2-[2-(3-クロロ-5-{[3-(1-クロロエチル)-4-エトキシフェニル]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}-3-(2-クロロエチル)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-[3-(1-クロロエチル)-4-エトキシフェニル]ベンズアミド
  • 3-chloro-5-(2-{1-[(4-{2-[2-(3-chloro-5-{[3-(1-chloroethyl)-4-ethoxyphenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-3-(2-chloroethyl)phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[3-(1-chloroethyl)-4-ethoxyphenyl]benzamide
Other name (1):
  • 3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(1-chloroethyl)-4-ethoxyphenyl]-5-chlorobenzamide]
Regulation number (1):
  • (3)-3020
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