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Substance Name: beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(2-(acetyloxy)ethyl)-, methyl ester
RN: 67905-16-2
InChIKey: YEPMXIKNGPVWRP-CYYJNZCTSA-N

Molecular Formula

  • C23-H25-Br-N6-O10

Molecular Weight

  • 625.386
 
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Names and Synonyms

Synonyms

  • EINECS 267-635-5
  • N-(5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-hydroxyethyl)-beta-alanine, methyl ester, acetate

Systematic Names

  • beta-Alanine, N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-(acetyloxy)ethyl)-, methyl ester
  • beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(2-(acetyloxy)ethyl)-, methyl ester
  • Methyl N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-(acetoxy)ethyl)beta-alaninate

Registry Numbers

CAS Registry Number

  • 67905-16-2

System Generated Number

  • 0067905162

Structure Descriptors

InChI

1S/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+

InChIKey

YEPMXIKNGPVWRP-CYYJNZCTSA-N

Smiles

O=C(OCCN(c1c(OC)cc(\N=N\c2c(cc([N+]([O-])=O)cc2[N+](=O)[O-])Br)c(NC(=O)C)c1)CCC(=O)OC)C