CAS 887408-20-0

5-(4-Nitrophenyl)-4-isoxazolecarboxylic acid

Description:

5-(4-Nitrophenyl)-4-isoxazolecarboxylic acid is an organic compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a nitrophenyl group, which contributes to its potential as a chromophore, making it useful in various applications, including pharmaceuticals and agrochemicals. The carboxylic acid functional group (-COOH) enhances its solubility in polar solvents and allows for potential interactions in biological systems. The presence of the nitro group (-NO2) on the phenyl ring can influence the compound's reactivity and biological activity, often enhancing its electron-withdrawing properties. This compound may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in targeting specific biological pathways. As with many organic compounds, safety and handling precautions should be observed due to the potential toxicity associated with nitro-substituted compounds.

Formula: C₁₀H₆N₂O₅

InChI: InChI=1S/C10H6N2O5/c13-10(14)8-5-11-17-9(8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)

InChI key: InChIKey=ICGHGLOTEHGCSB-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(ON=C1)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 5-(4-Nitrophenyl)-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 5-(4-nitrophenyl)-