Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CCOP(N)(=O)N(CCCl)CCCl)=NO2
InChIKey
InChIKey=BOFVGRLHVDRPTI-UHFFFAOYSA-N
Formula
C14H20Cl2N3O4P
Mass
396.2
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
Nitrogen mustard compounds Anisoles Phosphoric monoester diamides Alkyl aryl ethers Phosphate esters Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Anisole - Nitrogen mustard - Alkyl aryl ether - Phosphoric monoester diamide - Organic phosphoric acid derivative - Organic phosphoric acid amide - Benzenoid - Phosphoric acid ester - Azole - Isoxazole - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Alkyl halide - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen 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