Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=C(Br)C(C=C(C#N)C(N)=S)=C1

InChIKey

InChIKey=BWPUSNNPOGJKIK-UHFFFAOYSA-N

Formula

C18H14BrN3O4S

Mass

448.29

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Anisole - Phenol ether - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Thioamide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Thiocarboxylic acid amide - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Organic zwitterion - Organic salt - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic 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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