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Details

Stereochemistry ACHIRAL
Molecular Formula C21H11N5O8S
Molecular Weight 493.406
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitro-N-[5-nitro-1-(4-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene]benzamide

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)\N=C2/SN(C(=O)C3=CC=C(C=C3)[N+]([O-])=O)C4=C2C=C(C=C4)[N+]([O-])=O

InChI

InChIKey=WMJVWLNDLKRREM-XDOYNYLZSA-N
InChI=1S/C21H11N5O8S/c27-19(12-1-5-14(6-2-12)24(29)30)22-20-17-11-16(26(33)34)9-10-18(17)23(35-20)21(28)13-3-7-15(8-4-13)25(31)32/h1-11H/b22-20-

HIDE SMILES / InChI

Molecular Formula C21H11N5O8S
Molecular Weight 493.406
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:42:52 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:52 GMT 2025
Record UNII
JQ69AM4HAF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzamide, 4-nitro-N-[5-nitro-1-(4-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene]-
Preferred Name English
4-Nitro-N-[5-nitro-1-(4-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene]benzamide
Systematic Name English
Code System Code Type Description
CAS
106532-78-9
Created by admin on Mon Mar 31 23:42:52 GMT 2025 , Edited by admin on Mon Mar 31 23:42:52 GMT 2025
PRIMARY
PUBCHEM
13683731
Created by admin on Mon Mar 31 23:42:52 GMT 2025 , Edited by admin on Mon Mar 31 23:42:52 GMT 2025
PRIMARY
FDA UNII
JQ69AM4HAF
Created by admin on Mon Mar 31 23:42:52 GMT 2025 , Edited by admin on Mon Mar 31 23:42:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID901030683
Created by admin on Mon Mar 31 23:42:52 GMT 2025 , Edited by admin on Mon Mar 31 23:42:52 GMT 2025
PRIMARY