Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(Br)C(NC2=CC(=O)CC(C2)C2=CC=C(C=C2)C(F)(F)F)=CC=C1

InChIKey

InChIKey=LHOAGMPBVLOYLJ-UHFFFAOYSA-N

Formula

C21H17BrF3NO3

Mass

468.27

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aminobenzoic acid or derivatives - Benzoate ester - Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 2-bromoaniline - Aniline or substituted anilines - Cyclohexenone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Vinylogous amide - Methyl ester - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Enamine - Amine - Organofluoride - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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