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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8N2O5
Molecular Weight 224.1702
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ACETAMIDO-3-NITROBENZOIC ACID

SMILES

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

InChI

InChIKey=BRQIMWBIZLRLSV-UHFFFAOYSA-N
InChI=1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.
1997-12-05
Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.
1995-08-18
Patents
Name Type Language
4-ACETAMIDO-3-NITROBENZOIC ACID
Systematic Name English
NSC-190738
Preferred Name English
COMPOUND A1
Common Name English
BENZOIC ACID, 4-ACETAMIDO-3-NITRO-
Systematic Name English
4-(ACETYLAMINO)-3-NITROBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(ACETYLAMINO)-3-NITRO-
Systematic Name English
Code System Code Type Description
FDA UNII
9W2250FZKC
Created by admin on Mon Mar 31 18:51:45 GMT 2025 , Edited by admin on Mon Mar 31 18:51:45 GMT 2025
PRIMARY
PUBCHEM
73758
Created by admin on Mon Mar 31 18:51:45 GMT 2025 , Edited by admin on Mon Mar 31 18:51:45 GMT 2025
PRIMARY
CAS
1539-06-6
Created by admin on Mon Mar 31 18:51:45 GMT 2025 , Edited by admin on Mon Mar 31 18:51:45 GMT 2025
PRIMARY
NSC
190738
Created by admin on Mon Mar 31 18:51:45 GMT 2025 , Edited by admin on Mon Mar 31 18:51:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID3061766
Created by admin on Mon Mar 31 18:51:45 GMT 2025 , Edited by admin on Mon Mar 31 18:51:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-265-2
Created by admin on Mon Mar 31 18:51:45 GMT 2025 , Edited by admin on Mon Mar 31 18:51:45 GMT 2025
PRIMARY