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Details

Stereochemistry ACHIRAL
Molecular Formula C21H12N4O6S
Molecular Weight 448.408
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(1-(4-NITROBENZOYL)-2,1-BENZISOTHIAZOL-3(1H)-YLIDENE)-4-NITROBENZAMIDE

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=CC=C4

InChI

InChIKey=GMAJWOBIJXBIAK-XDOYNYLZSA-N
InChI=1S/C21H12N4O6S/c26-19(13-5-9-15(10-6-13)24(28)29)22-20-17-3-1-2-4-18(17)23(32-20)21(27)14-7-11-16(12-8-14)25(30)31/h1-12H/b22-20-

HIDE SMILES / InChI

Molecular Formula C21H12N4O6S
Molecular Weight 448.408
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 Sat Dec 16 08:01:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:01:26 GMT 2023
Record UNII
5Z9ZBD5TPN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(1-(4-NITROBENZOYL)-2,1-BENZISOTHIAZOL-3(1H)-YLIDENE)-4-NITROBENZAMIDE
Systematic Name English
4-NITRO-N-((3Z)-1-(4-NITROBENZOYL)-2,1-BENZOTHIAZOL-3(1H)-YLIDENE)BENZAMIDE
Systematic Name English
BENZAMIDE, 4-NITRO-N-(1-(4-NITROBENZOYL)-2,1-BENZISOTHIAZOL-3(1H)-YLIDENE)-
Systematic Name English
1-(P-NITROBENZOYL)-3(1H)-(P-NITROBENZOYL)IMINO-2,1-BENZISOTHIAZOLE
Common Name English
J359.555B
Code English
4-NITRO-N-(1-(4-NITROBENZOYL)-2,1-BENZOTHIAZOL-3-YLIDENE)BENZAMIDE
Systematic Name English
BENZAMIDE, 4-NITRO-N-((3Z)-1-(4-NITROBENZOYL)-2,1-BENZISOTHIAZOL-3(1H)-YLIDENE)-
Systematic Name English
Code System Code Type Description
CAS
67019-41-4
Created by admin on Sat Dec 16 08:01:26 GMT 2023 , Edited by admin on Sat Dec 16 08:01:26 GMT 2023
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FDA UNII
5Z9ZBD5TPN
Created by admin on Sat Dec 16 08:01:26 GMT 2023 , Edited by admin on Sat Dec 16 08:01:26 GMT 2023
PRIMARY
PUBCHEM
16205197
Created by admin on Sat Dec 16 08:01:26 GMT 2023 , Edited by admin on Sat Dec 16 08:01:26 GMT 2023
PRIMARY