Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=CNC1=C(C#N)C(F)=CC=C1)C#N

InChIKey

InChIKey=OXGKSBBKPKXZEO-UHFFFAOYSA-N

Formula

C13H10FN3O2

Mass

259.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzonitrile - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Allylamine - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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