| SpectraBase Spectrum ID |
DmLBiRh7X90 |
| Name |
Ethyl 3-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.078262862 u |
| Formula |
C20H16ClFN2O4 |
| InChI |
InChI=1S/C20H16ClFN2O4/c1-3-27-20(26)12-6-4-7-13(10-12)23-19(25)16-11(2)28-24-18(16)17-14(21)8-5-9-15(17)22/h4-10H,3H2,1-2H3,(H,23,25) |
| InChIKey |
GPEDJCBVDWIANY-UHFFFAOYSA-N |
| Molecular Weight |
402.809 g/mol |
| SMILES |
N(C(C=1C(=NOC1C)C=1C(F)=CC=CC1Cl)=O)C1=CC(C(=O)OCC)=CC=C1 |
![Ethyl 3-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate](/api/spectrum/DmLBiRh7X90/structure.png?h=300&w=458 "Ethyl 3-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)benzoate")
