| SpectraBase Spectrum ID |
AvXEn7URSPR |
| Name |
3-(1,3-Diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methoxyphenyl)propionamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.111735273 u |
| Formula |
C22H17N3O6 |
| InChI |
InChI=1S/C22H17N3O6/c1-31-18-8-3-2-7-16(18)23-19(26)11-12-24-21(27)14-6-4-5-13-17(25(29)30)10-9-15(20(13)14)22(24)28/h2-10H,11-12H2,1H3,(H,23,26) |
| InChIKey |
HJUXXJBICDLYHE-UHFFFAOYSA-N |
| Molecular Weight |
419.393 g/mol |
| SMILES |
C1=CC=C(NC(CCN2C(C=3C=CC(N(=O)=O)=C4C3C(C2=O)=CC=C4)=O)=O)C(OC)=C1 |
![3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methoxyphenyl)propionamide](/api/spectrum/AvXEn7URSPR/structure.png?h=300&w=458 "3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methoxyphenyl)propionamide")
