Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC(=CC(OCC)=C1OCC)C(=O)OCC(=O)NC1=C(Cl)C=C(C=N1)C(F)(F)F

InChIKey

InChIKey=LHOPVOPKPOWWJW-UHFFFAOYSA-N

Formula

C21H22ClF3N2O6

Mass

490.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives

Direct Parent

Gallic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Gallic acid or derivatives - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Aryl chloride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.

External Descriptors

Not available

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