Compound Identification
SMILES
OC(=O)C(=O)C(=CC1=CC(=CC=C1)C(F)(F)F)C1=NC2=CC=CC=C2C=C1
InChIKey
InChIKey=IFDYGTCEKJFLIB-UHFFFAOYSA-N
Formula
C20H12F3NO3
Mass
371.315
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 Quinolines and derivatives Pyridines and derivatives Alpha-branched alpha,beta-unsaturated ketones Alpha-keto acids and derivatives Acryloyl compounds Alpha-hydroxy ketones Enones Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Trifluoromethylbenzene - Quinoline - Alpha-keto acid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyridine - Keto acid - Acryloyl-group - Alpha-hydroxy ketone - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic 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