Structure Information
Structure

Compound Identification

SMILES

CN(C)CCCNC1=C(SC2=CC=CC=C12)[N+]([O-])=O

InChIKey

InChIKey=MNMLYJKQYUNBKK-UHFFFAOYSA-N

Formula

C13H17N3O2S

Mass

279.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiophenes

Subclass

Nitrothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

2-nitrothiophenes

Alternative Parents

1-benzothiophenes Nitroaromatic compounds Secondary alkylarylamines Benzenoids Aminothiophenes Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiophene - 2-nitrothiophene - 1-benzothiophene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aminothiophene - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Amine - Organic zwitterion - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.

External Descriptors

Not available

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