CAS 954118-33-3

Ethyl 2-cyano-3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-propenoate

Description:

Ethyl 2-cyano-3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-propenoate, identified by its CAS number 954118-33-3, is a synthetic organic compound characterized by its complex structure, which includes a cyano group, an ethyl ester, and a nitro-substituted aromatic ring. This compound typically exhibits properties associated with both its functional groups and its aromatic nature, such as moderate solubility in organic solvents and potential reactivity in various chemical environments. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. Additionally, the nitro group can impart unique electronic properties, potentially affecting the compound's reactivity and interaction with biological targets. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific safety and handling guidelines should be followed due to the presence of reactive functional groups.

Formula: C₁₃H₁₀F₃N₃O₄

InChI: InChI=1S/C13H10F3N3O4/c1-2-23-12(20)8(6-17)7-18-11-4-3-9(19(21)22)5-10(11)13(14,15)16/h3-5,7,18H,2H2,1H3

InChI key: InChIKey=NCXVDHKIXUHEER-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(NC=C(C(OCC)=O)C#N)C=CC(N(=O)=O)=C1

Synonyms:

• Ethyl 2-cyano-3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-propenoate
• 2-Propenoic acid, 2-cyano-3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-, ethyl ester