Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(C=CC(=O)NC2=C(Cl)C=CC(=C2)S(=O)(=O)N2CCOCC2)=C(OC(F)F)C=C1

InChIKey

InChIKey=JNAIAGFVHDPYKT-UHFFFAOYSA-N

Formula

C20H18ClF2N3O7S

Mass

517.88

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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 - Cinnamic acid amide - Nitrophenyl ether - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Anilide - Nitroaromatic compound - Styrene - Phenol ether - N-arylamide - Phenoxy compound - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Oxazinane - Benzenoid - Morpholine - Aryl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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