SpectraBase Spectrum ID |
Dk22q2UHSl6 |
Name |
4-Nitro-N-[2-[(4-nitrobenzoyl)amino]phenyl]benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
406.091334181 u |
Formula |
C20H14N4O6 |
InChI |
InChI=1S/C20H14N4O6/c25-19(13-5-9-15(10-6-13)23(27)28)21-17-3-1-2-4-18(17)22-20(26)14-7-11-16(12-8-14)24(29)30/h1-12H,(H,21,25)(H,22,26) |
InChIKey |
XLLSAFDUMYKCBU-UHFFFAOYSA-N |
Molecular Weight |
406.354 g/mol |
SMILES |
C=1(N(=O)=O)C=CC(C(NC2=C(NC(C3=CC=C(N(=O)=O)C=C3)=O)C=CC=C2)=O)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938247 |