| SpectraBase Spectrum ID |
G5ZB5GwB9KZ |
| Name |
Methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.032084650 u |
| Formula |
C20H17BrN2O5 |
| InChI |
InChI=1S/C20H17BrN2O5/c1-11-17(20(24)25-2)18(15(9-22)19(23)27-11)16-7-6-14(28-16)10-26-13-5-3-4-12(21)8-13/h3-8,18H,10,23H2,1-2H3 |
| InChIKey |
KPXIBOYIBVGSDS-UHFFFAOYSA-N |
| Molecular Weight |
445.269 g/mol |
| SMILES |
NC=1OC(=C(C(C1C#N)C=1OC(COC2=CC(Br)=CC=C2)=CC1)C(=O)OC)C |
![methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate](/api/spectrum/G5ZB5GwB9KZ/structure.png?h=300&w=458 "methyl 6-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate")
