| SpectraBase Spectrum ID |
KXV7pPkDK30 |
| Name |
Benzoic acid, 3-[[(2E)-2-[(4-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]amino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.032084650 u |
| Formula |
C22H17BrN2O5 |
| InChI |
InChI=1S/C22H17BrN2O5/c1-29-22(28)15-4-2-5-17(12-15)24-21(27)19(13-18-6-3-11-30-18)25-20(26)14-7-9-16(23)10-8-14/h2-13H,1H3,(H,24,27)(H,25,26)/b19-13+ |
| InChIKey |
WQMBBNRCMMNXPJ-CPNJWEJPSA-N |
| Molecular Weight |
469.291 g/mol |
| SMILES |
N(C(\C(=C/C=1OC=CC1)NC(C=1C=CC(=CC1)Br)=O)=O)C1=CC(C(=O)OC)=CC=C1 |
![benzoic acid, 3-[[(2E)-2-[(4-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]amino]-, methyl ester](/api/spectrum/KXV7pPkDK30/structure.png?h=300&w=458 "benzoic acid, 3-[[(2E)-2-[(4-bromobenzoyl)amino]-3-(2-furanyl)-1-oxo-2-propenyl]amino]-, methyl ester")
