| SpectraBase Spectrum ID |
BTStS8asFU9 |
| Name |
4-[2-(2,5-Dimethylanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.133533346 u |
| Formula |
C23H19N5O6 |
| InChI |
InChI=1S/C23H19N5O6/c1-13-7-8-14(2)18(9-13)25-22-16(10-15(27(31)32)11-20(22)28(33)34)23(30)26-12-21(29)24-17-5-3-4-6-19(17)26/h3-11,25H,12H2,1-2H3,(H,24,29) |
| InChIKey |
LKSIUXHDJAWWOH-UHFFFAOYSA-N |
| Molecular Weight |
461.434 g/mol |
| SMILES |
C12=CC=CC=C2NC(CN1C(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)NC=1C(=CC=C(C1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954644 |
![4-[2-(2,5-Dimethylanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one](/api/spectrum/BTStS8asFU9/structure.png?h=300&w=458 "4-[2-(2,5-Dimethylanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one")
