Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN=C(NC(=O)C=CC2=CC=C(C=C2)[N+]([O-])=O)S1

InChIKey

InChIKey=PXCPARRRVHBMBK-UHFFFAOYSA-N

Formula

C12H8N4O5S

Mass

320.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid amides

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid amides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid amide - Nitrobenzene - Nitroaromatic compound - Nitrothiazole - Styrene - N-arylamide - 2,5-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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