U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO2
Molecular Weight 217.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E)-N,N-DIMETHYL-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENAMIDE

SMILES

CN(C)C(=O)\C=C\C(=O)C1=CC=C(C)C=C1

InChI

InChIKey=JWGXYKXPJOTDNM-CMDGGOBGSA-N
InChI=1S/C13H15NO2/c1-10-4-6-11(7-5-10)12(15)8-9-13(16)14(2)3/h4-9H,1-3H3/b9-8+

HIDE SMILES / InChI

Molecular Formula C13H15NO2
Molecular Weight 217.2637
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
E43ZU4F4RS
Record Status Validated (UNII)
Record Version