Compound Identification
SMILES
FC1=CC=CC=C1C1=NOC2=C1C=CC(OCC#N)=C2Cl
InChIKey
InChIKey=JLUSGMQYMPLVAE-UHFFFAOYSA-N
Formula
C15H8ClFN2O2
Mass
302.69
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
Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Oxacycle - Azacycle - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organofluoride - Organochloride - Cyanide - Hydrocarbon derivative - 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