| SpectraBase Spectrum ID |
GhiAz8PUK89 |
| Name |
Ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5-chloro-1H-indole-2-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.082599350 u |
| Formula |
C21H17ClN2O5 |
| InChI |
InChI=1S/C21H17ClN2O5/c1-2-27-21(26)20-19(14-10-13(22)5-6-15(14)23-20)24-18(25)8-4-12-3-7-16-17(9-12)29-11-28-16/h3-10,23H,2,11H2,1H3,(H,24,25)/b8-4+ |
| InChIKey |
MOEVCGFVCLJWJK-XBXARRHUSA-N |
| Molecular Weight |
412.829 g/mol |
| SMILES |
N1C2=CC=C(C=C2C(=C1C(=O)OCC)NC(\C=C\C1=CC=2OCOC2C=C1)=O)Cl |
![ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5-chloro-1H-indole-2-carboxylate](/api/spectrum/GhiAz8PUK89/structure.png?h=300&w=458 "ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5-chloro-1H-indole-2-carboxylate")
