U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C12H9F3N2O2
Molecular Weight 270.2073
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide

SMILES

CC1(CO1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChIKey=UQUQTWDUTIAAAY-UHFFFAOYSA-N
InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C12H9F3N2O2
Molecular Weight 270.2073
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:13 GMT 2023
Record UNII
WL3C3KRW39
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide
Systematic Name English
2-Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-
Systematic Name English
2-Methyloxirane-2-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide
Systematic Name English
Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-
Systematic Name English
Code System Code Type Description
CAS
90357-51-0
Created by admin on Sat Dec 16 19:49:13 GMT 2023 , Edited by admin on Sat Dec 16 19:49:13 GMT 2023
PRIMARY
FDA UNII
WL3C3KRW39
Created by admin on Sat Dec 16 19:49:13 GMT 2023 , Edited by admin on Sat Dec 16 19:49:13 GMT 2023
PRIMARY
PUBCHEM
10149314
Created by admin on Sat Dec 16 19:49:13 GMT 2023 , Edited by admin on Sat Dec 16 19:49:13 GMT 2023
PRIMARY