Compound Identification
SMILES
CN1C=CC=C1C(=O)C(=C\C1=CC=C(C=C1)C#N)\C#N
InChIKey
InChIKey=UPDFFDVTWDQRDK-NTEUORMPSA-N
Formula
C16H11N3O
Mass
261.284
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
Benzonitriles Aryl ketones N-methylpyrroles Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzonitrile - Aryl ketone - Monocyclic benzene moiety - N-methylpyrrole - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Substituted pyrrole - Acryloyl-group - Enone - Heteroaromatic compound - Pyrrole - Alpha,beta-unsaturated ketone - Ketone - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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