| SpectraBase Spectrum ID |
KDLrWyHocxL |
| Name |
1H-Isoindole-5-carboxylic acid, 2-[4-(acetylamino)phenyl]-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.026999269 u |
| Formula |
C25H17BrN2O6 |
| InChI |
InChI=1S/C25H17BrN2O6/c1-14(29)27-18-7-9-19(10-8-18)28-23(31)20-11-4-16(12-21(20)24(28)32)25(33)34-13-22(30)15-2-5-17(26)6-3-15/h2-12H,13H2,1H3,(H,27,29) |
| InChIKey |
VLMFPONBDGNMIU-UHFFFAOYSA-N |
| Molecular Weight |
521.323 g/mol |
| SMILES |
N(C(=O)C)C1=CC=C(N2C(C=3C=C(C(OCC(C=4C=CC(=CC4)Br)=O)=O)C=CC3C2=O)=O)C=C1 |
![1H-isoindole-5-carboxylic acid, 2-[4-(acetylamino)phenyl]-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester](/api/spectrum/KDLrWyHocxL/structure.png?h=300&w=458 "1H-isoindole-5-carboxylic acid, 2-[4-(acetylamino)phenyl]-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester")
