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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO3
Molecular Weight 219.2365
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Butyl-5-nitrobenzofuran

SMILES

CCCCC1=CC2=C(O1)C=CC(=C2)[N+]([O-])=O

InChI

InChIKey=XGAJABPTUOLUAE-UHFFFAOYSA-N
InChI=1S/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Butyl-5-nitrobenzofuran
Systematic Name English
2-Butyl-5-nitro-1-benzofuran
Preferred Name English
2-n-Butyl-5-nitrobenzofuran
Systematic Name English
Benzofuran, 2-butyl-5-nitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
9837358
Created by admin on Wed Apr 02 20:52:44 GMT 2025 , Edited by admin on Wed Apr 02 20:52:44 GMT 2025
PRIMARY
FDA UNII
224SAH69HN
Created by admin on Wed Apr 02 20:52:44 GMT 2025 , Edited by admin on Wed Apr 02 20:52:44 GMT 2025
PRIMARY
CAS
133238-87-6
Created by admin on Wed Apr 02 20:52:44 GMT 2025 , Edited by admin on Wed Apr 02 20:52:44 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966