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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 5-Acetamido-2-nitrobenzoic acid

SMILES

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

InChI

InChIKey=ZSHFMOUMOUOGKI-UHFFFAOYSA-N
InChI=1S/C9H8N2O5/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)

HIDE SMILES / InChI

Molecular Formula C9H8N2O5
Molecular Weight 224.1702
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 12:24:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:26 GMT 2023
Record UNII
XLG672KN5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Acetamido-2-nitrobenzoic acid
Systematic Name English
Benzoic acid, 5-(acetylamino)-2-nitro-
Systematic Name English
5-(Acetylamino)-2-nitrobenzoic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-461-4
Created by admin on Sat Dec 16 12:24:26 GMT 2023 , Edited by admin on Sat Dec 16 12:24:26 GMT 2023
PRIMARY
PUBCHEM
78076
Created by admin on Sat Dec 16 12:24:26 GMT 2023 , Edited by admin on Sat Dec 16 12:24:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID1063435
Created by admin on Sat Dec 16 12:24:26 GMT 2023 , Edited by admin on Sat Dec 16 12:24:26 GMT 2023
PRIMARY
FDA UNII
XLG672KN5P
Created by admin on Sat Dec 16 12:24:26 GMT 2023 , Edited by admin on Sat Dec 16 12:24:26 GMT 2023
PRIMARY
CAS
4368-83-6
Created by admin on Sat Dec 16 12:24:26 GMT 2023 , Edited by admin on Sat Dec 16 12:24:26 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT