Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC(NC(=O)C(=CC2=C(OCC3=CC=C(Br)C=C3)C=CC3=CC=CC=C23)C#N)=CC=C1

InChIKey

InChIKey=REJPBAPOKBVCRE-UHFFFAOYSA-N

Formula

C28H18BrF3N2O2

Mass

551.363

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cinnamic acid amide - Coumaric acid or derivatives - Trifluoromethylbenzene - Naphthalene - Anilide - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

Previous Back Next