SpectraBase Spectrum ID |
BzWfebI8PYK |
Name |
7-Bromo-5-(2-chloro-phenyl)-3-(2-nitro-phenylamino)-1,3-dihydro-benzo[E][1,4] diazepin-2-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
483.993781024 u |
Formula |
C21H14BrClN4O3 |
InChI |
InChI=1S/C21H14BrClN4O3/c22-12-9-10-16-14(11-12)19(13-5-1-2-6-15(13)23)26-20(21(28)25-16)24-17-7-3-4-8-18(17)27(29)30/h1-11,20,24H,(H,25,28) |
InChIKey |
MVGMGBJOQDWLGU-UHFFFAOYSA-N |
Molecular Weight |
485.725 g/mol |
SMILES |
C1(C2=C(Cl)C=CC=C2)=NC(C(=O)NC2=C1C=C(Br)C=C2)NC1=C(C=CC=C1)N(=O)=O |