Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC2=C(OCO2)C=C1NC(=O)CCC([O-])=O

InChIKey

InChIKey=WEOUVOPMAFJEHU-UHFFFAOYSA-M

Formula

C13H12NO6

Mass

278.241

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Acetophenone - Benzodioxole - Aryl alkyl ketone - Aryl ketone - N-arylamide - Fatty amide - Fatty acyl - Benzenoid - Vinylogous amide - Carboxamide group - Carboxylic acid salt - Ketone - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic anion - 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

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