U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H18ClN5O4
Molecular Weight 415.83
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Disperse Red 54

SMILES

COC(=O)CCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=C(Cl)C=C(C=C2)[N+]([O-])=O

InChI

InChIKey=BMUXKUVOASOJKR-GHVJWSGMSA-N
InChI=1S/C19H18ClN5O4/c1-29-19(26)9-12-24(11-2-10-21)15-5-3-14(4-6-15)22-23-18-8-7-16(25(27)28)13-17(18)20/h3-8,13H,2,9,11-12H2,1H3/b23-22+

HIDE SMILES / InChI

Molecular Formula C19H18ClN5O4
Molecular Weight 415.83
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:17:05 GMT 2025
Edited
by admin
on Tue Apr 01 20:17:05 GMT 2025
Record UNII
CW48MW6UPR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Disperse Red 54
Common Name English
?-Alanine, N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, methyl ester
Preferred Name English
?-Alanine, N-[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-, methyl ester
Systematic Name English
N-[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-?-alanine methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
CW48MW6UPR
Created by admin on Tue Apr 01 20:17:05 GMT 2025 , Edited by admin on Tue Apr 01 20:17:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID7064447
Created by admin on Tue Apr 01 20:17:05 GMT 2025 , Edited by admin on Tue Apr 01 20:17:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-692-4
Created by admin on Tue Apr 01 20:17:05 GMT 2025 , Edited by admin on Tue Apr 01 20:17:05 GMT 2025
PRIMARY
CAS
6657-37-0
Created by admin on Tue Apr 01 20:17:05 GMT 2025 , Edited by admin on Tue Apr 01 20:17:05 GMT 2025
PRIMARY
PUBCHEM
81174
Created by admin on Tue Apr 01 20:17:05 GMT 2025 , Edited by admin on Tue Apr 01 20:17:05 GMT 2025
PRIMARY