Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(COC2=C(C=C(C#N)C(=O)NC3=CC=CC=C3Cl)C3=CC=CC=C3C=C2)C=C1

InChIKey

InChIKey=DBMPPZAUYCAPCO-UHFFFAOYSA-N

Formula

C27H18ClN3O4

Mass

483.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid amide - Naphthalene - Nitrobenzene - Anilide - Phenol ether - N-arylamide - Nitroaromatic compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxide - Cyanide - Organic oxygen compound - Organic salt - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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