Compound Identification
SMILES
CC1=C(C(NC(=O)N1)C1=CC2=C(OCO2)C=C1Br)C(=O)OC1CCCCCCC1
InChIKey
InChIKey=UWMCYQYIWOUZEG-UHFFFAOYSA-N
Formula
C21H25BrN2O5
Mass
465.344
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
Hydropyrimidine carboxylic acids and derivatives Pyrimidones Aryl bromides Benzenoids Vinylogous amides Enoate esters Ureas Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Hydropyrimidine carboxylic acid derivative - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carbonic acid derivative - Urea - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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