IUPAC Name: | 5-methyl-4-nitro-1,2-oxazole-3-carboxylic acid |
Description: | 5-Methyl-4-nitro-3-isoxazolecarboxylic Acid can be used to determine the structure-activity relationships of glutathione peroxidase 4 inhibitor warheads. |
Molecular Weight: | 172.1 |
Molecular Formula: | C5H4N2O5 |
Canonical SMILES: | CC1=C(C(=NO1)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4N2O5/c1-2-4(7(10)11)3(5(8)9)6-12-2/h1H3,(H,8,9) |
InChI Key: | GIRMISJOXYRPLD-UHFFFAOYSA-N |
References: | Eaton, J.K., et.al. ChemRxiv, 1-11, (2020). |
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