Structure Information
Structure

Compound Identification

SMILES

CCC(CC)NC1=C(N\C(C(C)=N1)=C1/C=CC(OC(F)(F)F)=CC1=O)OC

InChIKey

InChIKey=JCSQPABKERJWNJ-FYWRMAATSA-N

Formula

C18H22F3N3O3

Mass

385.387

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

O-quinomethane - Aminopyrazine - Vinylogous amide - Vinylogous ester - Ketimine - Trihalomethane - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Halomethane - Organic oxide - Imine - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Amine - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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