| SpectraBase Spectrum ID |
BzN4R4jp0KL |
| Name |
2,2-Dimethyl-propionic 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 |
448.018933145 u |
| Formula |
C20H18BrClN2O3 |
| InChI |
InChI=1S/C20H18BrClN2O3/c1-20(2,3)19(26)27-18-17(25)23-15-9-8-11(21)10-13(15)16(24-18)12-6-4-5-7-14(12)22/h4-10,18H,1-3H3,(H,23,25) |
| InChIKey |
UXWUANJJRZKLIU-UHFFFAOYSA-N |
| Molecular Weight |
449.732 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)OC(C(C)(C)C)=O)C1=C(Cl)C=CC=C1 |
![2,2-Dimethyl-propionic acid 7-bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester](/api/spectrum/BzN4R4jp0KL/structure.png?h=300&w=458 "2,2-Dimethyl-propionic acid 7-bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[E][1,4]diazepin-3-yl ester")
