Compound Identification
SMILES
CC(C)(C)C(=O)C(\C#N)=C(/O)C1=C(C=C(Br)C=C1)C(F)(F)F
InChIKey
InChIKey=BQNLWHZGSWINFZ-BENRWUELSA-N
Formula
C15H13BrF3NO2
Mass
376.173
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Bromobenzenes Aryl bromides Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Enones Acryloyl compounds Ketones Nitriles Enols Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Trifluoromethylbenzene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Ketone - Enol - Nitrile - Carbonitrile - Organooxygen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organobromide - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available