Structure Information
Structure

Compound Identification

SMILES

COCCCNC1=C(C#N)C(=O)NC(S1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=UIRCPUJKISGVJE-UHFFFAOYSA-N

Formula

C15H16N4O4S

Mass

348.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxoazanium - Carbonitrile - Nitrile - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Cyanide - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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