SpectraBase Spectrum ID |
LL3eWQgwhWw |
Name |
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-nitrobenzoate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H12N4O6 |
InChI |
InChI=1S/C13H12N4O6/c1-9-14-8-12(17(21)22)15(9)6-7-23-13(18)10-2-4-11(5-3-10)16(19)20/h2-5,8H,6-7H2,1H3 |
InChIKey |
SUOFRVXYTWIPIL-UHFFFAOYSA-N |
Molecular Weight |
320.261 g/mol |
SMILES |
c1(ccc([N+](=O)[O-])cc1)C(OCC[n]1c([N+](=O)[O-])cnc1C)=O |
SPLASH |
splash10-0udl-6910000000-89a1a5344d96b44c2220 |
Source of Spectrum |
Uzma Salar, et al. European Journal of Medicinal Chemistry, V.125, 2017, P.1289-1299 |
Wiley ID |
1816766 |