Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)CCOC(=O)OCOC1=C(CN2N=C(OC2=O)C2=CC=C(C=C2)C(F)(F)F)C=C(Cl)C=C1

InChIKey

InChIKey=CRESOIFXSOJLNN-UHFFFAOYSA-N

Formula

C23H24ClF3N3O6

Mass

530.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonic acid diester - 1,3,4-oxadiazole - Azole - Tetraalkylammonium salt - Heteroaromatic compound - Oxadiazole - Quaternary ammonium salt - Carbonic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

External Descriptors

Not available

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