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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4N2O2
Molecular Weight 148.1189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrobenzonitrile

SMILES

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

InChI

InChIKey=RUSAWEHOGCWOPG-UHFFFAOYSA-N
InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-5382
Preferred Name English
3-Nitrobenzonitrile
Systematic Name English
Benzonitrile, 3-nitro-
Systematic Name English
m-Nitrobenzonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
JDN9Z8WU2R
Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025
PRIMARY
NSC
5382
Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID5060697
Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025
PRIMARY
CAS
619-24-9
Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025
PRIMARY
PUBCHEM
12079
Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-587-7
Created by admin on Mon Mar 31 21:53:07 GMT 2025 , Edited by admin on Mon Mar 31 21:53:07 GMT 2025
PRIMARY