Compound Identification
SMILES
CCC1(CCCCN1C(O)=O)C1=NOC2=C1C=CC(Br)=C2
InChIKey
InChIKey=SVHONKCMJQZSJC-UHFFFAOYSA-N
Formula
C15H17BrN2O3
Mass
353.216
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
Piperidinecarboxylic acids Benzenoids Aryl bromides Isoxazoles Heteroaromatic compounds Carbamic acids Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Piperidinecarboxylic acid - Aryl bromide - Aryl halide - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Isoxazole - Carbamic acid - Carbamic acid derivative - Oxacycle - Azacycle - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen 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