Structure Information
Structure

Compound Identification

SMILES

CCC(=C)NCCCN1C(SCC1=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=JZVJLBBKVXNAPH-UHFFFAOYSA-N

Formula

C16H21N3O3S

Mass

335.42

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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

Nitrobenzene - Nitroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic oxoazanium - Secondary amine - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - Carbonyl group - Organic nitrogen compound - Amine - Organic cation - 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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