Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)C(=O)N1CC[NH+](CC2=CC3=C(OCO3)C=C2)CC1

InChIKey

InChIKey=OQOILMZCSNJNIT-UHFFFAOYSA-O

Formula

C21H25N2O4

Mass

369.44

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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

Benzamide - Benzodioxole - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Acetal - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organonitrogen compound - 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

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