Compound Identification
SMILES
CCN1C(=O)C(O)(CC(=O)C2=CC3=C(OCO3)C=C2)C2=C1C=CC(Br)=C2
InChIKey
InChIKey=NEPMNPUPBVNYOQ-UHFFFAOYSA-N
Formula
C19H16BrNO5
Mass
418.243
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
Indoles and derivatives Aryl alkyl ketones Aryl bromides Benzenoids Beta-hydroxy ketones Tertiary carboxylic acid amides Tertiary alcohols Lactams Acetals Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Aldehydes Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Aryl bromide - Aryl halide - Beta-hydroxy ketone - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Ketone - Lactam - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Carbonyl group - Aldehyde - Organic nitrogen compound - Alcohol - Organooxygen compound - Organic oxide - Organopnictogen compound - 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