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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7N2O5.Na
Molecular Weight 246.152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 5-(acetylamino)-2-nitrobenzoate

SMILES

[Na+].CC(=O)NC1=CC(C([O-])=O)=C(C=C1)[N+]([O-])=O

InChI

InChIKey=POQYVHDDPCHYCW-UHFFFAOYSA-M
InChI=1S/C9H8N2O5.Na/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14;/h2-4H,1H3,(H,10,12)(H,13,14);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzoic acid, 5-(acetylamino)-2-nitro-, sodium salt
Preferred Name English
Sodium 5-(acetylamino)-2-nitrobenzoate
Common Name English
Benzoic acid, 5-(acetylamino)-2-nitro-, sodium salt (1:1)
Systematic Name English
Benzoic acid, 5-(acetylamino)-2-nitro-, monosodium salt
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201000760
Created by admin on Wed Apr 02 09:21:07 GMT 2025 , Edited by admin on Wed Apr 02 09:21:07 GMT 2025
PRIMARY
PUBCHEM
5743676
Created by admin on Wed Apr 02 09:21:07 GMT 2025 , Edited by admin on Wed Apr 02 09:21:07 GMT 2025
PRIMARY
CAS
79817-51-9
Created by admin on Wed Apr 02 09:21:07 GMT 2025 , Edited by admin on Wed Apr 02 09:21:07 GMT 2025
PRIMARY
FDA UNII
2FZ59GWC9R
Created by admin on Wed Apr 02 09:21:07 GMT 2025 , Edited by admin on Wed Apr 02 09:21:07 GMT 2025
PRIMARY
NIH
NCATS
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