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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9N3O4S
Molecular Weight 279.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(1-Acetyl-5-nitro-2,1-benzisothiazol-3(1H)-ylidene)acetamide

SMILES

CC(=O)\N=C1/SN(C(C)=O)C2=CC=C(C=C12)[N+]([O-])=O

InChI

InChIKey=IYSSOIPNTOVFCQ-QXMHVHEDSA-N
InChI=1S/C11H9N3O4S/c1-6(15)12-11-9-5-8(14(17)18)3-4-10(9)13(19-11)7(2)16/h3-5H,1-2H3/b12-11-

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-(1-Acetyl-5-nitro-2,1-benzisothiazol-3(1H)-ylidene)acetamide
Systematic Name English
Acetamide, N-(1-acetyl-5-nitro-2,1-benzisothiazol-3(1H)-ylidene)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID701030625
Created by admin on Mon Mar 31 23:23:50 GMT 2025 , Edited by admin on Mon Mar 31 23:23:50 GMT 2025
PRIMARY
CAS
106532-60-9
Created by admin on Mon Mar 31 23:23:50 GMT 2025 , Edited by admin on Mon Mar 31 23:23:50 GMT 2025
PRIMARY
PUBCHEM
13683713
Created by admin on Mon Mar 31 23:23:50 GMT 2025 , Edited by admin on Mon Mar 31 23:23:50 GMT 2025
PRIMARY
FDA UNII
5W75A6YG29
Created by admin on Mon Mar 31 23:23:50 GMT 2025 , Edited by admin on Mon Mar 31 23:23:50 GMT 2025
PRIMARY
NIH
NCATS
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