Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC([C@H]2O[C@@H](CC(O)=O)C3=NN=C(N3C3=C2C=C(C=C3)C#N)C(F)(F)C(F)(F)F)=C1Cl

InChIKey

InChIKey=LNUXEIVUWYGKID-MAUKXSAKSA-N

Formula

C22H14ClF5N4O4

Mass

528.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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