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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO5
Molecular Weight 261.2301
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-NITROPHENYL)CARBONYLCYCLOHEXANE-1,3-DIONE

SMILES

[O-][N+](=O)C1=C(C=CC=C1)C(=O)C2C(=O)CCCC2=O

InChI

InChIKey=ZZJZBPYZTKGWTD-UHFFFAOYSA-N
InChI=1S/C13H11NO5/c15-10-6-3-7-11(16)12(10)13(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5,12H,3,6-7H2

HIDE SMILES / InChI

Molecular Formula C13H11NO5
Molecular Weight 261.2301
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:09:01 GMT 2025
Edited
by admin
on Wed Apr 02 07:09:01 GMT 2025
Record UNII
YT0LXR6Q73
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-CYCLOHEXANEDIONE, 2-(2-NITROBENZOYL)-
Preferred Name English
2-(2-NITROPHENYL)CARBONYLCYCLOHEXANE-1,3-DIONE
Systematic Name English
2-(2-NITROBENZOYL)-1,3-CYCLOHEXANEDIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
13983070
Created by admin on Wed Apr 02 07:09:01 GMT 2025 , Edited by admin on Wed Apr 02 07:09:01 GMT 2025
PRIMARY
CAS
104206-60-2
Created by admin on Wed Apr 02 07:09:01 GMT 2025 , Edited by admin on Wed Apr 02 07:09:01 GMT 2025
PRIMARY
FDA UNII
YT0LXR6Q73
Created by admin on Wed Apr 02 07:09:01 GMT 2025 , Edited by admin on Wed Apr 02 07:09:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID90553792
Created by admin on Wed Apr 02 07:09:01 GMT 2025 , Edited by admin on Wed Apr 02 07:09:01 GMT 2025
PRIMARY