Compound Identification
SMILES
COC1=C(C=C(C)C=C1)C1=NOC2=C1C(Cl)=C(N)C=C2
InChIKey
InChIKey=BRPFEQCGPARTDC-UHFFFAOYSA-N
Formula
C15H13ClN2O2
Mass
288.73
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
Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Primary aromatic amines Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Heteroaromatic compound - Azole - Isoxazole - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - 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