Compound Identification
SMILES
COC(=O)CCN1C(C)=C(CN2C=CN=C2)C2=C(\C=C\C([O-])=O)C=CC=C12
InChIKey
InChIKey=YMWQZSWDIWBAEZ-VOTSOKGWSA-M
Formula
C20H20N3O4
Mass
366.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
3-alkylindoles N-alkylindoles Styrenes Imidazolyl carboxylic acids and derivatives Substituted pyrroles Dicarboxylic acids and derivatives N-substituted imidazoles Methyl esters Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Imidazolyl carboxylic acid derivative - Styrene - Dicarboxylic acid or derivatives - N-substituted imidazole - Substituted pyrrole - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Azole - Imidazole - Carboxylic acid ester - Carboxylic acid salt - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available