Compound Identification
SMILES
COC(=O)C1=CC(=NC2=C1C(=NO2)C1=CC=C(Cl)C=C1)C1=CC2=CC=CC=C2O1
InChIKey
InChIKey=DOAJTJMDSLNTKU-UHFFFAOYSA-N
Formula
C22H13ClN2O4
Mass
404.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isoxazolopyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoxazolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoxazolopyridines
Alternative Parents
Pyridinecarboxylic acids Benzofurans Chlorobenzenes Aryl chlorides Methyl esters Isoxazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - 1,2-oxazolopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Methyl ester - Furan - Isoxazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoxazolopyridines. These are aromatic compounds containing an isoxazole ring fused to a pyridine ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available