Compound Identification
SMILES
C[NH+](C)CCC(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=PWBLOELLKGNDKI-UHFFFAOYSA-O
Formula
C12H16NO3
Mass
222.263
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
Aryl alkyl ketones Beta-amino ketones Benzenoids Trialkylamines Oxacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl ketone - Aryl alkyl ketone - Beta-aminoketone - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Organopnictogen compound - Amine - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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