Compound Identification
SMILES
CCOC(=O)C1=C(C)NC2=C(C1C1=CC3=C(OCO3)C=C1Cl)C(=O)CC(C)(C)C2
InChIKey
InChIKey=GABKXHQVSHHAAE-UHFFFAOYSA-N
Formula
C22H24ClNO5
Mass
417.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Cyclohexenones Dihydropyridines Aryl chlorides Benzenoids Vinylogous amides Enoate esters Amino acids and derivatives Acetals Oxacyclic compounds Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Enamines Organic oxides Organopnictogen compounds Aldehydes Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Dihydropyridine - Cyclohexenone - Benzenoid - Aryl chloride - Aryl halide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Amino acid or derivatives - Ketone - Oxacycle - Azacycle - Enamine - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Acetal - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available