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

Details

Stereochemistry RACEMIC
Molecular Formula C14H20N2O5
Molecular Weight 296.319
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL

SMILES

CCCCCCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=DVOCCVCLRHDYOB-UHFFFAOYSA-N
InChI=1S/C14H20N2O5/c1-3-4-5-6-7-10(2)12-8-11(15(18)19)9-13(14(12)17)16(20)21/h8-10,17H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H20N2O5
Molecular Weight 296.319
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:07:19 GMT 2025
Edited
by admin
on Tue Apr 01 18:07:19 GMT 2025
Record UNII
7O69M6E83R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DNOP
Preferred Name English
2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL
Systematic Name English
PHENOL, 2-(1-METHYLHEPTYL)-4,6-DINITRO-
Systematic Name English
2-(1-METHYLHEPTYL)-4,6-DINITROPHENOL
Systematic Name English
Code System Code Type Description
PUBCHEM
3032447
Created by admin on Tue Apr 01 18:07:19 GMT 2025 , Edited by admin on Tue Apr 01 18:07:19 GMT 2025
PRIMARY
FDA UNII
7O69M6E83R
Created by admin on Tue Apr 01 18:07:19 GMT 2025 , Edited by admin on Tue Apr 01 18:07:19 GMT 2025
PRIMARY
CAS
3687-22-7
Created by admin on Tue Apr 01 18:07:19 GMT 2025 , Edited by admin on Tue Apr 01 18:07:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID50958067
Created by admin on Tue Apr 01 18:07:19 GMT 2025 , Edited by admin on Tue Apr 01 18:07:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE