Compound Identification
SMILES
COC(=O)C1=COC(CN2C(=O)C3(COC4=C3C=C3C(C)=NOC3=C4)C3=CC=CC=C23)=N1
InChIKey
InChIKey=DVZISEUVLDLVJA-UHFFFAOYSA-N
Formula
C23H17N3O6
Mass
431.404
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
Coumarans Indoles and derivatives 2,4-disubstituted oxazoles Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Isoxazoles Tertiary amines Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole or derivatives - Coumaran - Benzisoxazole - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Benzenoid - Isoxazole - Azole - Oxazole - Tertiary carboxylic acid amide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Tertiary amine - Amino acid or derivatives - Lactam - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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