Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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