Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(OCCCC(=O)NCC2=CC(=CC=C2)C(O)=O)C=CC2=C1ON=C2C(F)(F)F

InChIKey

InChIKey=NBUFWEDOBKBUPT-UHFFFAOYSA-N

Formula

C23H23F3N2O5

Mass

464.441

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzisoxazole - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Azole - Heteroaromatic compound - Isoxazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

External Descriptors

Not available

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