| SpectraBase Spectrum ID |
206cbYREcdx |
| Name |
(-)-4-methyl-3-methylcarbamoyl-7,8-methylenedioxy-1-(4-nitrophenyl)-4,5-dihydro-3H-2,3-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.127719691 u |
| Formula |
C19H18N4O5 |
| InChI |
InChI=1S/C19H18N4O5/c1-11-7-13-8-16-17(28-10-27-16)9-15(13)18(21-22(11)19(24)20-2)12-3-5-14(6-4-12)23(25)26/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,24) |
| InChIKey |
UICJTWHIOCCXDG-UHFFFAOYSA-N |
| Molecular Weight |
382.376 g/mol |
| SMILES |
C(N1N=C(C=2C(CC1C)=CC1=C(C2)OCO1)C1=CC=C(N(=O)=O)C=C1)(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920554 |
