| SpectraBase Spectrum ID |
75C9uqqq3ux |
| Name |
(E)-2-(Benzoylamino)-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.139447807 u |
| Formula |
C26H19F2N3O3 |
| InChI |
InChI=1S/C26H19F2N3O3/c1-16-20(15-22(26(33)34)29-25(32)18-10-6-3-7-11-18)24(17-8-4-2-5-9-17)31(30-16)23-14-19(27)12-13-21(23)28/h2-15H,1H3,(H,29,32)(H,33,34)/b22-15+ |
| InChIKey |
WPGFHEKIWUUORO-PXLXIMEGSA-N |
| Molecular Weight |
459.453 g/mol |
| SMILES |
C(\C(=C/C=1C(=NN(C1C=1C=CC=CC1)C=1C(=CC=C(C1)F)F)C)NC(C=1C=CC=CC1)=O)(=O)O |
![(E)-2-(Benzoylamino)-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid](/api/spectrum/75C9uqqq3ux/structure.png?h=300&w=458 "(E)-2-(Benzoylamino)-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid")
