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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12ClN3O4
Molecular Weight 297.694
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-CHLORO-4-NITROPHENYL)-5-(1,1-DIMETHYLETHYL)-1,3,4-OXADIAZOL-2(3H)-ONE

SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=CC=C(C=C2Cl)[N+]([O-])=O

InChI

InChIKey=ZVCSOYNAOLZQED-UHFFFAOYSA-N
InChI=1S/C12H12ClN3O4/c1-12(2,3)10-14-15(11(17)20-10)9-5-4-7(16(18)19)6-8(9)13/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H12ClN3O4
Molecular Weight 297.694
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 12:19:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:19:32 GMT 2023
Record UNII
T69GC7MMS7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-CHLORO-4-NITROPHENYL)-5-(1,1-DIMETHYLETHYL)-1,3,4-OXADIAZOL-2(3H)-ONE
Systematic Name English
5-(TERT-BUTYL)-3-(2-CHLORO-4-NITROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE
Systematic Name English
1,3,4-OXADIAZOL-2(3H)-ONE, 3-(2-CHLORO-4-NITROPHENYL)-5-(1,1-DIMETHYLETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10185317
Created by admin on Sat Dec 16 12:19:32 GMT 2023 , Edited by admin on Sat Dec 16 12:19:32 GMT 2023
PRIMARY
PUBCHEM
11970461
Created by admin on Sat Dec 16 12:19:32 GMT 2023 , Edited by admin on Sat Dec 16 12:19:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-613-4
Created by admin on Sat Dec 16 12:19:32 GMT 2023 , Edited by admin on Sat Dec 16 12:19:32 GMT 2023
PRIMARY
FDA UNII
T69GC7MMS7
Created by admin on Sat Dec 16 12:19:32 GMT 2023 , Edited by admin on Sat Dec 16 12:19:32 GMT 2023
PRIMARY
CAS
31399-83-4
Created by admin on Sat Dec 16 12:19:32 GMT 2023 , Edited by admin on Sat Dec 16 12:19:32 GMT 2023
PRIMARY