CAS Registry Number®
850545-42-5
CAS Name
N-[4-[2-(2-Bromo-6-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]-N-ethyl-β-alanine cyanomethyl ester
Molecular Formula
C21H19BrN6O4
Molecular Mass
499.32
Other Names and Identifiers
InChI
InChI=1S/C21H19BrN6O4/c1-3-27(8-6-20(29)32-9-7-23)16-4-5-19(14(2)10-16)25-26-21-15(13-24)11-17(28(30)31)12-18(21)22/h4-5,10-12H,3,6,8-9H2,1-2H3
InChIKey
InChIKey=WFIIIFUXWJGXEJ-UHFFFAOYSA-N
SMILES
N(=NC1=C(C)C=C(N(CCC(OCC#N)=O)CC)C=C1)C2=C(C#N)C=C(N(=O)=O)C=C2Br
Canonical SMILES
N#CC1=CC(=CC(Br)=C1N=NC2=CC=C(C=C2C)N(CC)CCC(=O)OCC#N)N(=O)=O
Other Names for this Substance
- β-Alanine, N-[4-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]-N-ethyl-, cyanomethyl ester
- β-Alanine, N-[4-[(2-bromo-6-cyano-4-nitrophenyl)azo]-3-methylphenyl]-N-ethyl-, cyanomethyl ester
- N-[4-[2-(2-Bromo-6-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl]-N-ethyl-β-alanine cyanomethyl ester
