Compound Identification
SMILES
OC(=O)C(O)=O.FC1=CC2=C(C=C1)C(CCCN1CCC(=CC1)C1=CC=C(Cl)C=C1)=NO2
InChIKey
InChIKey=ULXADDMMDFEDRM-UHFFFAOYSA-N
Formula
C23H22ClFN2O5
Mass
460.89
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
Aralkylamines Chlorobenzenes Aryl chlorides Aryl fluorides Hydropyridines Dicarboxylic acids and derivatives Isoxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
Benzisoxazole - Halobenzene - Aralkylamine - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Isoxazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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