CAS 1159978-65-0

4-[(2,3-Dihydro-2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile

Description:

4-[(2,3-Dihydro-2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile is a chemical compound characterized by its complex structure, which includes a benzoxazine moiety and a benzonitrile group. This compound features a nitro group, contributing to its potential reactivity and biological activity. The presence of the benzoxazine ring suggests that it may exhibit properties typical of heterocyclic compounds, such as potential antimicrobial or anti-inflammatory activities. The nitrile functional group can influence the compound's polarity and solubility, affecting its interactions in biological systems. Additionally, the presence of a methyl group and a carbonyl group within the benzoxazine structure may enhance its stability and reactivity. Overall, this compound's unique structural features may make it of interest in medicinal chemistry and material science, although specific applications would depend on further research into its properties and behavior in various environments.

Formula: C₁₇H₁₃N₃O₄

InChI: InChI=1S/C17H13N3O4/c1-11-17(21)19(10-13-4-2-12(9-18)3-5-13)15-8-14(20(22)23)6-7-16(15)24-11/h2-8,11H,10H2,1H3

InChI key: InChIKey=TYROOWODIDQGIR-UHFFFAOYSA-N

SMILES: C(N1C=2C(OC(C)C1=O)=CC=C(N(=O)=O)C2)C3=CC=C(C#N)C=C3

Synonyms:

• Benzonitrile, 4-[(2,3-dihydro-2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]-
• 4-[(2,3-Dihydro-2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]benzonitrile