| SpectraBase Spectrum ID |
FPZieoGDSOB |
| Name |
3-Methyl-5-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.121906035 u |
| Formula |
C19H17N3O4 |
| InChI |
InChI=1S/C19H17N3O4/c1-13-12-21(17-5-3-2-4-16(17)20-19(13)24)18(23)11-8-14-6-9-15(10-7-14)22(25)26/h2-11,13H,12H2,1H3,(H,20,24)/b11-8+ |
| InChIKey |
SLLNGEGNGSRGNR-DHZHZOJOSA-N |
| Molecular Weight |
351.362 g/mol |
| SMILES |
C1=CC=C2C(NC(C(CN2C(=O)\C=C\C2=CC=C(C=C2)[N+](=O)[O-])C)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943161 |
![3-Methyl-5-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one](/api/spectrum/FPZieoGDSOB/structure.png?h=300&w=458 "3-Methyl-5-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one")
