Compound Identification
SMILES
CN1CC(CC(C(=O)C2=CC=C(F)C=C2)=C1C1=CC=CC=C1)(C#N)C#N
InChIKey
InChIKey=CDFONRHIYANIAQ-UHFFFAOYSA-N
Formula
C21H16FN3O
Mass
345.377
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
Benzoyl derivatives Aryl ketones Tetrahydropyridines Fluorobenzenes Aryl fluorides Vinylogous amides Trialkylamines Nitriles Enamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Tetrahydropyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Ketone - Enamine - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic 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