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CAS 959987-48-5

:

4-(butanoylamino)-3-methyl-5-nitro-benzoic acid

Description:
4-(Butanoylamino)-3-methyl-5-nitro-benzoic acid, identified by its CAS number 959987-48-5, is an organic compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a butanoylamino group, a methyl group, and a nitro group. This compound typically exhibits properties associated with both amides and carboxylic acids, such as potential solubility in polar solvents and the ability to participate in hydrogen bonding due to the presence of the carboxylic acid functional group. The nitro group contributes to its electron-withdrawing characteristics, which can influence its reactivity and stability. Additionally, the presence of the butanoylamino group may impart specific biological activities, making it of interest in pharmaceutical research. The compound's melting point, boiling point, and solubility characteristics would depend on its molecular interactions and the specific conditions under which it is studied. Overall, this compound's unique functional groups suggest potential applications in medicinal chemistry and materials science.
Formula:C12H14N2O5
InChI:InChI=1/C12H14N2O5/c1-3-4-10(15)13-11-7(2)5-8(12(16)17)6-9(11)14(18)19/h5-6H,3-4H2,1-2H3,(H,13,15)(H,16,17)
SMILES:CCCC(=Nc1c(C)cc(cc1N(=O)=O)C(=O)O)O
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