Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1CN1C=NC(NC(=O)C2=C(F)C=CC(F)=C2)=C1C#N

InChIKey

InChIKey=AJXXTEATGLIJST-UHFFFAOYSA-N

Formula

C19H14F2N4O2

Mass

368.344

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Imidolactam - Azole - Imidazole - Vinylogous halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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