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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14ClN3O4
Molecular Weight 323.732
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[(4-Chloro-2-nitrophenyl)azo]-5,5-dimethylcyclohexane-1,3-dione

SMILES

CC1(C)CC(=O)C(\N=N\C2=CC=C(Cl)C=C2[N+]([O-])=O)C(=O)C1

InChI

InChIKey=YQEWWWGIXNSFGR-WUKNDPDISA-N
InChI=1S/C14H14ClN3O4/c1-14(2)6-11(19)13(12(20)7-14)17-16-9-4-3-8(15)5-10(9)18(21)22/h3-5,13H,6-7H2,1-2H3/b17-16+

HIDE SMILES / InChI

Molecular Formula C14H14ClN3O4
Molecular Weight 323.732
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 17:49:24 GMT 2025
Edited
by admin
on Tue Apr 01 17:49:24 GMT 2025
Record UNII
MHE7YN6XU6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(4-Chloro-2-nitrophenyl)azo]-5,5-dimethylcyclohexane-1,3-dione
Systematic Name English
1,3-CYCLOHEXANEDIONE, 2-((4-CHLORO-2-NITROPHENYL)AZO)-5,5-DIMETHYL-
Preferred Name English
2-[2-(4-Chloro-2-nitrophenyl)diazenyl]-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one
Systematic Name English
2-[2-(4-Chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-1,3-cyclohexanedione
Systematic Name English
1,3-Cyclohexanedione, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-
Systematic Name English
2-Cyclohexen-1-one, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-5,5-dimethyl-
Systematic Name English
Code System Code Type Description
CAS
1344124-21-5
Created by admin on Tue Apr 01 17:49:24 GMT 2025 , Edited by admin on Tue Apr 01 17:49:24 GMT 2025
ALTERNATIVE
FDA UNII
MHE7YN6XU6
Created by admin on Tue Apr 01 17:49:24 GMT 2025 , Edited by admin on Tue Apr 01 17:49:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
264-219-5
Created by admin on Tue Apr 01 17:49:24 GMT 2025 , Edited by admin on Tue Apr 01 17:49:24 GMT 2025
PRIMARY
CAS
63467-06-1
Created by admin on Tue Apr 01 17:49:24 GMT 2025 , Edited by admin on Tue Apr 01 17:49:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID7069865
Created by admin on Tue Apr 01 17:49:24 GMT 2025 , Edited by admin on Tue Apr 01 17:49:24 GMT 2025
PRIMARY