| SpectraBase Spectrum ID |
Xu2M3e4WNd |
| Name |
(5Z)-5-[4-(2-Bromoethoxy)-3-methoxy-benzylidene]-1-(p-tolyl)barbituric acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.047734715 u |
| Formula |
C21H19BrN2O5 |
| InChI |
InChI=1S/C21H19BrN2O5/c1-13-3-6-15(7-4-13)24-20(26)16(19(25)23-21(24)27)11-14-5-8-17(29-10-9-22)18(12-14)28-2/h3-8,11-12H,9-10H2,1-2H3,(H,23,25,27)/b16-11- |
| InChIKey |
BMLYFEUMIRRFQG-WJDWOHSUSA-N |
| Molecular Weight |
459.296 g/mol |
| SMILES |
COC1=CC(\C=C/2C(N(C(NC2=O)=O)C2=CC=C(C=C2)C)=O)=CC=C1OCCBr |
![(5Z)-5-[4-(2-bromoethoxy)-3-methoxy-benzylidene]-1-(p-tolyl)barbituric acid](/api/spectrum/Xu2M3e4WNd/structure.png?h=300&w=458 "(5Z)-5-[4-(2-bromoethoxy)-3-methoxy-benzylidene]-1-(p-tolyl)barbituric acid")
