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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClN2O3
Molecular Weight 214.606
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Methylamino)-3-nitrobenzoyl chloride

SMILES

CNC1=C(C=C(C=C1)C(Cl)=O)[N+]([O-])=O

InChI

InChIKey=LIRZLGQEZXAOQR-UHFFFAOYSA-N
InChI=1S/C8H7ClN2O3/c1-10-6-3-2-5(8(9)12)4-7(6)11(13)14/h2-4,10H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(Methylamino)-3-nitrobenzoyl chloride
Systematic Name English
4-Methylamino-3-nitrobenzoic acid chloride
Systematic Name English
Benzoyl chloride, 4-(methylamino)-3-nitro-
Systematic Name English
Code System Code Type Description
CAS
82357-48-0
Created by admin on Sat Dec 16 20:09:29 GMT 2023 , Edited by admin on Sat Dec 16 20:09:29 GMT 2023
PRIMARY
PUBCHEM
17946449
Created by admin on Sat Dec 16 20:09:29 GMT 2023 , Edited by admin on Sat Dec 16 20:09:29 GMT 2023
PRIMARY
FDA UNII
4E4TL2575J
Created by admin on Sat Dec 16 20:09:29 GMT 2023 , Edited by admin on Sat Dec 16 20:09:29 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
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