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Details

Stereochemistry ACHIRAL
Molecular Formula C18H11ClN4O4S
Molecular Weight 414.822
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Chlorophenyl)-5-methyl-N-(6-nitro-2-benzothiazolyl)-4-isoxazolecarboxamide

SMILES

CC1=C(C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+]([O-])=O)C(=NO1)C4=CC=CC=C4Cl

InChI

InChIKey=VXKRBYPUJPOUEK-UHFFFAOYSA-N
InChI=1S/C18H11ClN4O4S/c1-9-15(16(22-27-9)11-4-2-3-5-12(11)19)17(24)21-18-20-13-7-6-10(23(25)26)8-14(13)28-18/h2-8H,1H3,(H,20,21,24)

HIDE SMILES / InChI

Molecular Formula C18H11ClN4O4S
Molecular Weight 414.822
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 Wed Apr 02 19:32:43 GMT 2025
Edited
by admin
on Wed Apr 02 19:32:43 GMT 2025
Record UNII
2JSP377T5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-Chlorophenyl)-5-methyl-N-(6-nitro-2-benzothiazolyl)-4-isoxazolecarboxamide
Systematic Name English
3-(2-Chlorophenyl)-5-methyl-N-(6-nitro-2-benzothiazolyl)-4-isoxazolecarboxamide (ACI)
Preferred Name English
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-5-methyl-N-(6-nitro-2-benzothiazolyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
2354458
Created by admin on Wed Apr 02 19:32:43 GMT 2025 , Edited by admin on Wed Apr 02 19:32:43 GMT 2025
PRIMARY
CAS
349132-87-2
Created by admin on Wed Apr 02 19:32:43 GMT 2025 , Edited by admin on Wed Apr 02 19:32:43 GMT 2025
PRIMARY
FDA UNII
2JSP377T5H
Created by admin on Wed Apr 02 19:32:43 GMT 2025 , Edited by admin on Wed Apr 02 19:32:43 GMT 2025
PRIMARY