| SpectraBase Spectrum ID |
JZwgVCngOEQ |
| Name |
4-Methyl-3-nitro-N-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.109290492 u |
| Formula |
C22H16F3N3O4 |
| InChI |
InChI=1S/C22H16F3N3O4/c1-13-6-7-15(12-19(13)28(31)32)21(30)27-18-5-3-2-4-17(18)26-20(29)14-8-10-16(11-9-14)22(23,24)25/h2-12H,1H3,(H,26,29)(H,27,30) |
| InChIKey |
UVHVBRGHVGTZCA-UHFFFAOYSA-N |
| Molecular Weight |
443.382 g/mol |
| SMILES |
CC1=C(N(=O)=O)C=C(C(=O)NC2=C(NC(C3=CC=C(C(F)(F)F)C=C3)=O)C=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918801 |
![4-Methyl-3-nitro-N-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]benzamide](/api/spectrum/JZwgVCngOEQ/structure.png?h=300&w=458 "4-Methyl-3-nitro-N-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]benzamide")
