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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO6
Molecular Weight 211.1284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitroisophthalic acid

SMILES

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

InChI

InChIKey=OCJFXVHDIVAONP-UHFFFAOYSA-N
InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C8H5NO6
Molecular Weight 211.1284
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:06:55 GMT 2023
Edited
by admin
on Sat Dec 16 20:06:55 GMT 2023
Record UNII
C3744RDR3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Nitroisophthalic acid
Systematic Name English
1,3-Benzenedicarboxylic acid, 4-nitro-
Systematic Name English
4-Nitro-1,3-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
3062438
Created by admin on Sat Dec 16 20:06:55 GMT 2023 , Edited by admin on Sat Dec 16 20:06:55 GMT 2023
PRIMARY
FDA UNII
C3744RDR3S
Created by admin on Sat Dec 16 20:06:55 GMT 2023 , Edited by admin on Sat Dec 16 20:06:55 GMT 2023
PRIMARY
CAS
4315-09-7
Created by admin on Sat Dec 16 20:06:55 GMT 2023 , Edited by admin on Sat Dec 16 20:06:55 GMT 2023
PRIMARY