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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO4
Molecular Weight 195.1721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrobenzyl acetate

SMILES

CC(=O)OCC1=CC(=CC=C1)[N+]([O-])=O

InChI

InChIKey=WNVPZUAAKWXDNS-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c1-7(11)14-6-8-3-2-4-9(5-8)10(12)13/h2-5H,6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzenemethanol, m-nitro-, acetate (ester)
Preferred Name English
3-Nitrobenzyl acetate
Systematic Name English
Benzenemethanol, 3-nitro-, 1-acetate
Systematic Name English
Benzenemethanol, 3-nitro-, acetate (ester)
Systematic Name English
m-Nitrobenzyl acetate
Systematic Name English
Code System Code Type Description
FDA UNII
UK7QF6D5CQ
Created by admin on Mon Mar 31 23:32:32 GMT 2025 , Edited by admin on Mon Mar 31 23:32:32 GMT 2025
PRIMARY
PUBCHEM
155620
Created by admin on Mon Mar 31 23:32:32 GMT 2025 , Edited by admin on Mon Mar 31 23:32:32 GMT 2025
PRIMARY
CAS
21388-97-6
Created by admin on Mon Mar 31 23:32:32 GMT 2025 , Edited by admin on Mon Mar 31 23:32:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID90943937
Created by admin on Mon Mar 31 23:32:32 GMT 2025 , Edited by admin on Mon Mar 31 23:32:32 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