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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO6
Molecular Weight 239.1816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dimethyl 4-nitroisophthalate

SMILES

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

InChI

InChIKey=IFGRLSNABSJUIU-UHFFFAOYSA-N
InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-8(11(14)15)7(5-6)10(13)17-2/h3-5H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Dimethyl 4-nitroisophthalate
Systematic Name English
1,3-Benzenedicarboxylic acid, 4-nitro-, 1,3-dimethyl ester
Preferred Name English
1,3-Dimethyl 4-nitro-1,3-benzenedicarboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
12528357
Created by admin on Wed Apr 02 18:18:49 GMT 2025 , Edited by admin on Wed Apr 02 18:18:49 GMT 2025
PRIMARY
FDA UNII
M737KEB52J
Created by admin on Wed Apr 02 18:18:49 GMT 2025 , Edited by admin on Wed Apr 02 18:18:49 GMT 2025
PRIMARY
CAS
69048-70-0
Created by admin on Wed Apr 02 18:18:49 GMT 2025 , Edited by admin on Wed Apr 02 18:18:49 GMT 2025
PRIMARY
NIH
NCATS
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