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 C18H17N3O3
Molecular Weight 323.3459
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EUPIRONE

SMILES

CN1N(C(=O)C(NC(=O)C2=C(O)C=CC=C2)=C1C)C3=CC=CC=C3

InChI

InChIKey=MCIXCJIARTZWCW-UHFFFAOYSA-N
InChI=1S/C18H17N3O3/c1-12-16(19-17(23)14-10-6-7-11-15(14)22)18(24)21(20(12)2)13-8-4-3-5-9-13/h3-11,22H,1-2H3,(H,19,23)

HIDE SMILES / InChI

Molecular Formula C18H17N3O3
Molecular Weight 323.3459
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
4JS34CPO5G
Record Status Validated (UNII)
Record Version