| SpectraBase Spectrum ID |
KA4ytG0HGzP |
| Name |
(4-{(E)-[1-(4-Chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.098249415 u |
| Formula |
C21H19ClN2O5 |
| InChI |
InChI=1S/C21H19ClN2O5/c1-3-28-19-11-14(4-9-18(19)29-12-20(25)26)10-17-13(2)23-24(21(17)27)16-7-5-15(22)6-8-16/h4-11H,3,12H2,1-2H3,(H,25,26)/b17-10+ |
| InChIKey |
UPNJPBHJTKBING-LICLKQGHSA-N |
| Molecular Weight |
414.845 g/mol |
| SMILES |
OC(COC1=CC=C(\C=C\2C(N(C3=CC=C(Cl)C=C3)N=C2C)=O)C=C1OCC)=O |
![(4-{(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid](/api/spectrum/KA4ytG0HGzP/structure.png?h=300&w=458 "(4-{(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid")
