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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO4
Molecular Weight 215.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-chloro-3-nitrobenzoate

SMILES

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

InChI

InChIKey=XRTKWPWDSUNLHS-UHFFFAOYSA-N
InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 4-chloro-3-nitrobenzoate
Systematic Name English
4-Chloro-3-nitrobenzoic acid methyl ester
Preferred Name English
Methyl 3-Nitro-4-chlorobenzoate
Systematic Name English
Benzoic acid, 4-chloro-3-nitro-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
735797
Created by admin on Wed Apr 02 20:32:04 GMT 2025 , Edited by admin on Wed Apr 02 20:32:04 GMT 2025
PRIMARY
CAS
14719-83-6
Created by admin on Wed Apr 02 20:32:04 GMT 2025 , Edited by admin on Wed Apr 02 20:32:04 GMT 2025
PRIMARY
FDA UNII
H6A9MD9VBK
Created by admin on Wed Apr 02 20:32:04 GMT 2025 , Edited by admin on Wed Apr 02 20:32:04 GMT 2025
PRIMARY
NIH
NCATS
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