Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C(C#N)C(=O)N2CCC(CC2)C2=NC(=CS2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=OYAUZFMYZRQTJY-UHFFFAOYSA-N

Formula

C24H19ClN4O4S

Mass

494.95

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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 heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - Nitrobenzene - N-acyl-piperidine - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - C-nitro compound - Carboxamide group - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Nitrile - Carbonitrile - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic 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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