| SpectraBase Spectrum ID |
J0Hmg2Rnr2H |
| Name |
1,4-Dimethyl-7-nitro-5-(trifluoroacetyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.077990363 u |
| Formula |
C13H12F3N3O4 |
| InChI |
InChI=1S/C13H12F3N3O4/c1-7-5-11(20)17(2)9-4-3-8(19(22)23)6-10(9)18(7)12(21)13(14,15)16/h3-4,6-7H,5H2,1-2H3 |
| InChIKey |
LUXRLWXABYHXMX-UHFFFAOYSA-N |
| Molecular Weight |
331.251 g/mol |
| SMILES |
C=12N(C(CC(N(C2=CC=C(N(=O)=O)C1)C)=O)C)C(C(F)(F)F)=O |
