Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.COC(=O)C1=CC2=C(C=C1)C=C(OC(=O)C1=CC=C(CN)C=C1)C=C2

InChIKey

InChIKey=BWAUVDPOMFCJHL-UHFFFAOYSA-N

Formula

C22H18F3NO6

Mass

449.382

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalenecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenecarboxylic acids

Alternative Parents

Molecular Framework

Not available

Substituents

2-naphthalenecarboxylic acid - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Alpha-halocarboxylic acid - Methyl ester - Alpha-halocarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Primary amine - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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