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Substance Name: beta-Alanine, N-(4-(2-(4-bromo-2,6-dicyanophenyl)diazenyl)-3-hydroxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
RN: 122630-55-1
InChIKey: VHVCLLGXFQGZJR-CYYJNZCTSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C22-H20-Br-N5-O5

Molecular Weight

  • 514.334
 
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Names and Synonyms

Synonym

  • EC 407-310-9

Systematic Names

  • beta-Alanine, N-(4-((4-bromo-2,6-dicyanophenyl)azo)-3-hydroxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
  • beta-Alanine, N-(4-(2-(4-bromo-2,6-dicyanophenyl)diazenyl)-3-hydroxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
  • Dimethyl 3,3'-(N-(4-(4-bromo-2,6-dicyanophenylazo)-3-hydroxyphenyl)imino)dipropionate

Registry Numbers

CAS Registry Number

  • 122630-55-1

System Generated Number

  • 0122630551

Structure Descriptors

InChI

1S/C22H20BrN5O5/c1-32-20(30)5-7-28(8-6-21(31)33-2)17-3-4-18(19(29)11-17)26-27-22-14(12-24)9-16(23)10-15(22)13-25/h3-4,9-11,29H,5-8H2,1-2H3/b27-26+

InChIKey

VHVCLLGXFQGZJR-CYYJNZCTSA-N

Smiles

N(=N\c1c(cc(N(CCC(=O)OC)CCC(=O)OC)cc1)O)/c1c(C#N)cc(cc1C#N)Br