Compound Identification
SMILES
CC(O)=O.CC(C)NCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=WOTUXKMPRRYBNY-UHFFFAOYSA-N
Formula
C13H19NO4
Mass
253.298
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
Aralkylamines Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzodioxole - Aralkylamine - Benzenoid - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - 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