Compound Identification
SMILES
FC1=C(F)C2=C(C=C1)C(NC1=CN=C(Cl)C=C1)=NO2
InChIKey
InChIKey=TXUQDFZGTGMYGO-UHFFFAOYSA-N
Formula
C12H6ClF2N3O
Mass
281.65
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
Aminopyridines and derivatives 2-halopyridines Imidolactams Benzenoids Aryl fluorides Aryl chlorides Isoxazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Isoxazole - Oxacycle - Azacycle - Secondary amine - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organofluoride - 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