Compound Identification
SMILES
OC1=C(Br)C=C(C=C1)C1=C2C=CC(=O)C=C2ON1
InChIKey
InChIKey=JUNWOHMHIUWFMH-UHFFFAOYSA-N
Formula
C13H8BrNO3
Mass
306.115
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
O-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Isoxazoles Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Cyclic ketone - Oxacycle - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen 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