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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Benzoic acids Phenol ethers Benzoyl derivatives Alkyl aryl ethers N-acyl amines Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
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