| SpectraBase Spectrum ID |
Lu5QCLcOaKT |
| Name |
N-((Z)-2-(1,3-Benzodioxol-5-yl)-1-{[(3-hydroxypropyl)amino]carbonyl}ethenyl)-2-bromobenzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.047734715 u |
| Formula |
C20H19BrN2O5 |
| InChI |
InChI=1S/C20H19BrN2O5/c21-15-5-2-1-4-14(15)19(25)23-16(20(26)22-8-3-9-24)10-13-6-7-17-18(11-13)28-12-27-17/h1-2,4-7,10-11,24H,3,8-9,12H2,(H,22,26)(H,23,25)/b16-10- |
| InChIKey |
GILNAGRDJXZZNC-YBEGLDIGSA-N |
| Molecular Weight |
447.285 g/mol |
| SMILES |
N(\C(C(=O)NCCCO)=C/C1=CC=2OCOC2C=C1)C(C1=C(Br)C=CC=C1)=O |
![N-((Z)-2-(1,3-benzodioxol-5-yl)-1-{[(3-hydroxypropyl)amino]carbonyl}ethenyl)-2-bromobenzamide](/api/spectrum/Lu5QCLcOaKT/structure.png?h=300&w=458 "N-((Z)-2-(1,3-benzodioxol-5-yl)-1-{[(3-hydroxypropyl)amino]carbonyl}ethenyl)-2-bromobenzamide")
