Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(\SC1=CC=C(C=C1)[N+]([O-])=O)=C/C1=CC=C(C=C1)C#N

InChIKey

InChIKey=KGGMIXUTDBVMRM-OQLLNIDSSA-N

Formula

C16H10N2O4S

Mass

326.33

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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 homomonocyclic compounds

Substituents

Cinnamic acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzonitrile - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Thioenolether - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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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