N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-β-alanine methyl ester

CAS Registry Number®

72595-17-6

CAS Name

N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-β-alanine methyl ester

Molecular Formula

C21H22N6O5

Molecular Mass

438.44

Cite this Page

N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-β-alanine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72595-17-6 (retrieved 2024-12-22) (CAS RN: 72595-17-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22N6O5/c1-4-26(10-9-21(29)32-3)16-5-8-19(20(12-16)23-14(2)28)25-24-18-7-6-17(27(30)31)11-15(18)13-22/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,28)

InChIKey

InChIKey=IHGNMANWSZRSPH-UHFFFAOYSA-N

SMILES

N(C(C)=O)C1=C(N=NC2=C(C#N)C=C(N(=O)=O)C=C2)C=CC(N(CCC(OC)=O)CC)=C1

Canonical SMILES

N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2NC(=O)C)N(CC)CCC(=O)OC)N(=O)=O

Other Names for this Substance

  • β-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester
  • β-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester
  • N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-β-alanine methyl ester

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