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Substance Name: beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester
RN: 67923-49-3
InChIKey: BEHWLVCTBALQPJ-OCEACIFDSA-N

Molecular Formula

  • C22-H25-Br-N6-O9

Molecular Weight

  • 597.377
 
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Names and Synonyms

Synonyms

  • 3-((5-Acetylamino-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)(2-hydroxyethyl)amino)propanoic acid, ethyl ester
  • EINECS 267-765-2

Systematic Names

  • beta-Alanine, N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester
  • beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester
  • Ethyl N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-hydroxyethyl)-beta-alaninate

Registry Numbers

CAS Registry Number

  • 67923-49-3

System Generated Number

  • 0067923493

Structure Descriptors

InChI

1S/C22H25BrN6O9/c1-4-38-21(32)5-6-27(7-8-30)18-11-16(24-13(2)31)17(12-20(18)37-3)25-26-22-15(23)9-14(28(33)34)10-19(22)29(35)36/h9-12,30H,4-8H2,1-3H3,(H,24,31)/b26-25+

InChIKey

BEHWLVCTBALQPJ-OCEACIFDSA-N

Smiles

O=C(Nc1c(\N=N\c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])Br)cc(OC)c(N(CCC(=O)OCC)CCO)c1)C