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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12F3NO3
Molecular Weight 287.2345
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl (2Z)-3-(acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoate

SMILES

COC(=O)\C=C(\CC1=C(F)C=C(F)C(F)=C1)NC(C)=O

InChI

InChIKey=IZFJPBWBAPIUAN-UITAMQMPSA-N
InChI=1S/C13H12F3NO3/c1-7(18)17-9(5-13(19)20-2)3-8-4-11(15)12(16)6-10(8)14/h4-6H,3H2,1-2H3,(H,17,18)/b9-5-

HIDE SMILES / InChI

Molecular Formula C13H12F3NO3
Molecular Weight 287.2345
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 Wed Apr 02 17:30:51 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:51 GMT 2025
Record UNII
D6ZAP43AUS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (2Z)-3-(acetylamino)-4-(2,4,5-trifluorophenyl)-2-butenoate
Systematic Name English
2-Butenoic acid, 3-(acetylamino)-4-(2,4,5-trifluorophenyl)-, methyl ester, (2Z)-
Preferred Name English
Code System Code Type Description
CAS
1234321-81-3
Created by admin on Wed Apr 02 17:30:51 GMT 2025 , Edited by admin on Wed Apr 02 17:30:51 GMT 2025
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FDA UNII
D6ZAP43AUS
Created by admin on Wed Apr 02 17:30:51 GMT 2025 , Edited by admin on Wed Apr 02 17:30:51 GMT 2025
PRIMARY
PUBCHEM
46836578
Created by admin on Wed Apr 02 17:30:51 GMT 2025 , Edited by admin on Wed Apr 02 17:30:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID30721392
Created by admin on Wed Apr 02 17:30:51 GMT 2025 , Edited by admin on Wed Apr 02 17:30:51 GMT 2025
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