| SpectraBase Spectrum ID |
Dc6eV2cMBAH |
| Name |
N-(2-Cyano-4,5-diethoxy-phenyl)-2-morpholin-4-yl-5-nitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.169584503 u |
| Formula |
C22H24N4O6 |
| InChI |
InChI=1S/C22H24N4O6/c1-3-31-20-11-15(14-23)18(13-21(20)32-4-2)24-22(27)17-12-16(26(28)29)5-6-19(17)25-7-9-30-10-8-25/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,27) |
| InChIKey |
WAGFDLUCLWODDX-UHFFFAOYSA-N |
| Molecular Weight |
440.456 g/mol |
| SMILES |
C=1(C(NC2=C(C#N)C=C(OCC)C(=C2)OCC)=O)C(N2CCOCC2)=CC=C(N(=O)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938619 |
