Compound Identification
SMILES
OC(=O)C(=O)\C=C(\O)C1=CC(CCC#N)=CC=C1
InChIKey
InChIKey=FJKCRXOJINATRN-DHZHZOJOSA-N
Formula
C13H11NO4
Mass
245.234
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
Styrenes Alpha-keto acids and derivatives Vinylogous acids Enones Alpha-hydroxy ketones Acryloyl compounds Nitriles Monocarboxylic acids and derivatives Enols Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Alpha-keto acid - Monocyclic benzene moiety - Benzenoid - Keto acid - Acryloyl-group - Alpha-hydroxy ketone - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Carboxylic acid derivative - Carboxylic acid - Enol - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - 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