Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1NC1=C(C#N)C2=C(CCCC2)S1

InChIKey

InChIKey=BSOCREKRSSBXNK-UHFFFAOYSA-N

Formula

C15H13N3O2S

Mass

299.35

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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 heteropolycyclic compounds

Substituents

3,4,5-trisubstituted-2-aminothiophene - Nitrobenzene - Aniline or substituted anilines - Nitroaromatic compound - N-arylated-2-aminothiophene - 2-aminothiophene - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organic oxoazanium - Nitrile - Carbonitrile - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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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