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Substance Name: beta-Alanine, N-(2-cyanoethyl)-N-(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)-, methyl ester
RN: 27767-98-2
InChIKey: CUPYBRUIBNYSDK-WCWDXBQESA-N

Molecular Formula

  • C20-H18-N6-O4

Molecular Weight

  • 406.4
 
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Names and Synonyms

Synonyms

  • Benzenamine, N-(2-(methoxycarbonyl)ethyl)-N-(2-cyanoethyl)-4-((4-nitro-2-cyanophenyl)azo)-
  • EINECS 248-649-0
  • N-(2-Cyanoethyl)-N-(2-(methoxycarbonyl)ethyl)-4-((2-cyano-4-nitrophenyl)azo)benzeneamine

Systematic Names

  • beta-Alanine, N-(2-cyanoethyl)-N-(4-((2-cyano-4-nitrophenyl)azo)phenyl)-, methyl ester
  • beta-Alanine, N-(2-cyanoethyl)-N-(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)-, methyl ester
  • Methyl N-(2-cyanoethyl)-N-(4-((2-cyano-4-nitrophenyl)azo)phenyl)-beta-alaninate

Registry Numbers

CAS Registry Number

  • 27767-98-2

Other Registry Number

  • 12223-46-0

System Generated Number

  • 0027767982

Structure Descriptors

InChI

1S/C20H18N6O4/c1-30-20(27)9-12-25(11-2-10-21)17-5-3-16(4-6-17)23-24-19-8-7-18(26(28)29)13-15(19)14-22/h3-8,13H,2,9,11-12H2,1H3/b24-23+

InChIKey

CUPYBRUIBNYSDK-WCWDXBQESA-N

Smiles

O=C(OC)CCN(c1ccc(\N=N\c2c(C#N)cc([N+]([O-])=O)cc2)cc1)CCC#N