Structure Information
Structure

Compound Identification

SMILES

C\C(N)=C(/C#N)C(=S)COC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XQJDYXXJCHWEOU-FLIBITNWSA-N

Formula

C12H11N3O3S

Mass

277.3

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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

Nitrophenyl ethers

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Thioketone - Organic nitro compound - Enamine - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Cyanide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Thiocarbonyl group - Organic oxide - Organic zwitterion - Primary aliphatic amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.

External Descriptors

Not available

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