| SpectraBase Spectrum ID |
HEvrubaglyp |
| Name |
Chloro-acetic acid, 7-bromo-5-(2-chloro-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 |
439.933010619 u |
| Formula |
C17H11BrCl2N2O3 |
| InChI |
InChI=1S/C17H11BrCl2N2O3/c18-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)20)22-17(16(24)21-13)25-14(23)8-19/h1-7,17H,8H2,(H,21,24) |
| InChIKey |
PRWYSTKMGKQAFF-UHFFFAOYSA-N |
| Molecular Weight |
442.096 g/mol |
| SMILES |
C1=C(C=C2C(=C1)NC(=O)C(N=C2C1=CC=CC=C1Cl)OC(CCl)=O)Br |
![Chloro-acetic acid, 7-bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H- benzo[E][1,4]diazepin-3-yl ester](/api/spectrum/HEvrubaglyp/structure.png?h=300&w=458 "Chloro-acetic acid, 7-bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H- benzo[E][1,4]diazepin-3-yl ester")
