| SpectraBase Spectrum ID |
AO59EVWICix |
| Name |
7-Chloro-2,3-dihydro-3-(4-nitrobenzylidene)-5-phenyl-1H-1,4-benzodiazepin-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.072369020 u |
| Formula |
C22H14ClN3O3 |
| InChI |
InChI=1S/C22H14ClN3O3/c23-16-8-11-19-18(13-16)21(15-4-2-1-3-5-15)24-20(22(27)25-19)12-14-6-9-17(10-7-14)26(28)29/h1-13H,(H,25,27)/b20-12+ |
| InChIKey |
NYJHUOQGLILQOF-UDWIEESQSA-N |
| Molecular Weight |
403.825 g/mol |
| SMILES |
C12=C(C=CC(=C2)Cl)NC(\C(N=C1C1=CC=CC=C1)=C/C1=CC=C(C=C1)N(=O)=O)=O |
