Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1)C(=O)SCCCCN1CCCCC1)[N+]([O-])=O

InChIKey

InChIKey=FLQJYNFOYCNVNE-UHFFFAOYSA-N

Formula

C16H21N3O5S

Mass

367.42

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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

Benzoic acid or derivatives - Nitrobenzene - Thiobenzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Piperidine - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Tertiary amine - Carbothioic s-ester - Thiocarboxylic acid ester - Tertiary aliphatic amine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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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