Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(CSC2=NC=C(Br)C(SCC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1

InChIKey

InChIKey=DGIVOOHDWJIQKY-UHFFFAOYSA-N

Formula

C18H13BrN4O4S2

Mass

493.35

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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 - Aryl thioether - Nitroaromatic compound - Halopyrimidine - Alkylarylthioether - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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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