| SpectraBase Spectrum ID |
8HRmLTqtXfp |
| Name |
(4-{(E)-[1-(2-Chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.082599350 u |
| Formula |
C20H17ClN2O5 |
| InChI |
InChI=1S/C20H17ClN2O5/c1-12-14(20(26)23(22-12)16-6-4-3-5-15(16)21)9-13-7-8-17(18(10-13)27-2)28-11-19(24)25/h3-10H,11H2,1-2H3,(H,24,25)/b14-9+ |
| InChIKey |
VXJUVESIUVBZDN-NTEUORMPSA-N |
| Molecular Weight |
400.818 g/mol |
| SMILES |
OC(COC1=CC=C(\C=C\2C(N(N=C2C)C2=C(Cl)C=CC=C2)=O)C=C1OC)=O |
![(4-{(E)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid](/api/spectrum/8HRmLTqtXfp/structure.png?h=300&w=458 "(4-{(E)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid")
