Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C)C=C1)C1=NOC2=C1C=C(C=C2)N1C(=O)NC(=CC1=O)C(F)(F)F

InChIKey

InChIKey=MOMCSSVCOKTBOB-UHFFFAOYSA-N

Formula

C20H14F3N3O4

Mass

417.344

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzisoxazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Toluene - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Isoxazole - Urea - Lactam - Ether - Oxacycle - Azacycle - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

External Descriptors

Not available

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