Compound Identification
SMILES
CCCC1=NOC2=CC(OCC(O)CNC(C)C)=C(NC(C)=O)C=C12
InChIKey
InChIKey=BBPQZRUFMVRAHS-UHFFFAOYSA-N
Formula
C18H27N3O4
Mass
349.431
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
N-acetylarylamines Phenol ethers Alkyl aryl ethers Acetamides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - N-acetylarylamine - Phenol ether - N-arylamide - Alkyl aryl ether - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Oxacycle - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxide - 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