| SpectraBase Spectrum ID |
3MQHm4Pd3Vh |
| Name |
(E)-2-Benzamido-3-[3-methyl-5-phenyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-2-propenoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.145676002 u |
| Formula |
C27H20F3N3O3 |
| InChI |
InChI=1S/C27H20F3N3O3/c1-17-22(16-23(26(35)36)31-25(34)19-11-6-3-7-12-19)24(18-9-4-2-5-10-18)33(32-17)21-14-8-13-20(15-21)27(28,29)30/h2-16H,1H3,(H,31,34)(H,35,36)/b23-16+ |
| InChIKey |
CJHRCJPGASPBLM-XQNSMLJCSA-N |
| Molecular Weight |
491.470 g/mol |
| SMILES |
C(\C(=C/C=1C(=NN(C1C=1C=CC=CC1)C=1C=C(C=CC1)C(F)(F)F)C)NC(C=1C=CC=CC1)=O)(=O)O |
![(E)-2-benzamido-3-[3-methyl-5-phenyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-2-propenoic acid](/api/spectrum/3MQHm4Pd3Vh/structure.png?h=300&w=458 "(E)-2-benzamido-3-[3-methyl-5-phenyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-2-propenoic acid")
