| SpectraBase Spectrum ID |
BUUDLLAxN7u |
| Name |
Acetic acid 7-bromo-5-(2-bromo-phenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.921468251 u |
| Formula |
C17H12Br2N2O3 |
| InChI |
InChI=1S/C17H12Br2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23) |
| InChIKey |
ZPJWWEZZNFALGI-UHFFFAOYSA-N |
| Molecular Weight |
452.102 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)OC(=O)C)C1=C(Br)C=CC=C1 |
![Acetic acid 7-bromo-5-(2-bromo-phenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester](/api/spectrum/BUUDLLAxN7u/structure.png?h=300&w=458 "Acetic acid 7-bromo-5-(2-bromo-phenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester")
