Chem
J-GLOBAL ID:200907051260387387   Nikkaji number:J185.067I

3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(chloromethyl)-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-(クロロメチル)-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: C48H45Cl5N8O8
Molecular formula furigana: C48-H45-CL5-N8-O8
Molecular weight: 1039.190
InChI: InChI=1S/C48H45Cl5N8O8/c1-5-68-41-11-8-36(20-31(41)24-50)54-45(64)29-15-33(52)22-38(18-29)58-60-43(26(3)62)47(66)56-35-7-10-40(28(17-35)13-14-49)57-48(67)44(27(4)63)61-59-39-19-30(16-34(53)23-39)46(65)55-37-9-12-42(69-6-2)32(21-37)25-51/h7-12,15-23,43-44H,5-6,13-14,24-25H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)
InChI key: MZMBYPLQWHLQGY-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(CCl)c3)C(=O)C)c(CCCl)c2)cc1CCl
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-(クロロメチル)-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-(クロロメチル)-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-(クロロメチル)-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-(chloromethyl)-4-ethoxyphenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-3-(2-chloroethyl)phenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
Other name (1):
  • 3,3′-[2-(2-Chloroethyl)-1,4-phenylenebis[iminocarbonyl(acetylmethylene)azo]]bis[N-[3-(chloromethyl)-4-ethoxyphenyl]-5-chlorobenzamide]
Regulation number (1):
  • (3)-3020
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