N-[4-[2-(4-Bromo-2,6-dicyanophenyl)diazenyl]-3-hydroxyphenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester

CAS Registry Number®

122630-55-1

CAS Name

N-[4-[2-(4-Bromo-2,6-dicyanophenyl)diazenyl]-3-hydroxyphenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester

Molecular Formula

C22H20BrN5O5

Molecular Mass

514.33

Cite this Page

N-[4-[2-(4-Bromo-2,6-dicyanophenyl)diazenyl]-3-hydroxyphenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122630-55-1 (retrieved 2025-05-22) (CAS RN: 122630-55-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=VHVCLLGXFQGZJR-UHFFFAOYSA-N

SMILES

N(=NC1=C(O)C=C(N(CCC(OC)=O)CCC(OC)=O)C=C1)C2=C(C#N)C=C(Br)C=C2C#N

Canonical SMILES

N#CC1=CC(Br)=CC(C#N)=C1N=NC2=CC=C(C=C2O)N(CCC(=O)OC)CCC(=O)OC

Other Names for this Substance

  • β-Alanine, N-[4-[2-(4-bromo-2,6-dicyanophenyl)diazenyl]-3-hydroxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
  • β-Alanine, N-[4-[(4-bromo-2,6-dicyanophenyl)azo]-3-hydroxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
  • N-[4-[2-(4-Bromo-2,6-dicyanophenyl)diazenyl]-3-hydroxyphenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester

CAS INSIGHTSTM
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