Structure Information
Structure

Compound Identification

SMILES

CC1C[NH+](CC2=C(O)C=CC3=C2OC(=C(OC2=CC=CC=C2Br)C3=O)C(F)(F)F)CC(C)O1

InChIKey

InChIKey=SMKRZVBETWXZBM-UHFFFAOYSA-O

Formula

C23H22BrF3NO5

Mass

529.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

Chromones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chromone - Diaryl ether - Phenoxy compound - Phenol ether - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Pyranone - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Amine - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organobromide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.

External Descriptors

Not available

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