Compound Identification
SMILES
OC(=O)CS(=O)C1=C(Br)C=C2C(ON=C2C2=CC=CC=C2F)=C1
InChIKey
InChIKey=KNKZNVBHCDPCMA-UHFFFAOYSA-N
Formula
C15H9BrFNO4S
Mass
398.2
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
Fluorobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Isoxazoles Sulfoxides Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Isoxazole - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Sulfinyl compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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