| SpectraBase Spectrum ID |
FfY81a3ln9X |
| Name |
Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-3-oxobutanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.111066568 u |
| Formula |
C22H19NO8 |
| InChI |
InChI=1S/C22H19NO8/c1-3-30-21(26)17(12(2)24)18(13-7-6-8-14(11-13)23(28)29)19-20(25)15-9-4-5-10-16(15)31-22(19)27/h4-11,17-18,25H,3H2,1-2H3 |
| InChIKey |
JHBSZXNSPBPDEC-UHFFFAOYSA-N |
| Molecular Weight |
425.393 g/mol |
| SMILES |
C(C(C(C)=O)C(C=1C=C(C=CC1)N(=O)=O)C=1C(OC=2C=CC=CC2C1O)=O)(=O)OCC |
![Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-3-oxobutanoate](/api/spectrum/FfY81a3ln9X/structure.png?h=300&w=458 "Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-3-oxobutanoate")
