Structure Information
Structure

Compound Identification

SMILES

CCC(C)N(CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1)C(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XEVKRWJIBSZWNQ-UHFFFAOYSA-N

Formula

C26H25FN2O6S

Mass

512.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cinnamic acid or derivatives - Benzenesulfonate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Styrene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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