Compound Identification
SMILES
OC(=O)N(C(O)=O)C1=NOC2=C1C=C(C=C2)C1=C(O)C=CC(Cl)=C1
InChIKey
InChIKey=KCIUZQDUNYJYHZ-UHFFFAOYSA-N
Formula
C15H9ClN2O6
Mass
348.7
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
P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Imidolactams Aryl chlorides Isoxazoles Heteroaromatic compounds Carbamic acids Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - 4-halophenol - 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Isoxazole - Heteroaromatic compound - Azole - Carbamic acid derivative - Carbamic acid - Oxacycle - Azacycle - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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