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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H17NO4
Molecular Weight 335.3533
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Bis(2-methylphenoxy)-1-nitrobenzene

SMILES

CC1=CC=CC=C1OC2=CC=C(C(OC3=CC=CC=C3C)=C2)[N+]([O-])=O

InChI

InChIKey=AGUUXLHIEOFRGU-UHFFFAOYSA-N
InChI=1S/C20H17NO4/c1-14-7-3-5-9-18(14)24-16-11-12-17(21(22)23)20(13-16)25-19-10-6-4-8-15(19)2/h3-13H,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H17NO4
Molecular Weight 335.3533
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 Tue Apr 01 16:57:42 GMT 2025
Edited
by admin
on Tue Apr 01 16:57:42 GMT 2025
Record UNII
KW3LW8W3QX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2?-((4-nitro-1,3-phenylene)bis(oxy))bis(methylbenzene)
Preferred Name English
2,4-Bis(2-methylphenoxy)-1-nitrobenzene
Systematic Name English
Benzene, 2,4-bis(2-methylphenoxy)-1-nitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
3023149
Created by admin on Tue Apr 01 16:57:42 GMT 2025 , Edited by admin on Tue Apr 01 16:57:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
301-075-5
Created by admin on Tue Apr 01 16:57:42 GMT 2025 , Edited by admin on Tue Apr 01 16:57:42 GMT 2025
PRIMARY
FDA UNII
KW3LW8W3QX
Created by admin on Tue Apr 01 16:57:42 GMT 2025 , Edited by admin on Tue Apr 01 16:57:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID70240077
Created by admin on Tue Apr 01 16:57:42 GMT 2025 , Edited by admin on Tue Apr 01 16:57:42 GMT 2025
PRIMARY
CAS
93980-94-0
Created by admin on Tue Apr 01 16:57:42 GMT 2025 , Edited by admin on Tue Apr 01 16:57:42 GMT 2025
PRIMARY