Structure Information
Structure

Compound Identification

SMILES

CN1CCC2=C(C1)SC1=C2C(=O)N[C@H](N1)C1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=JKSQDTZFWSLABO-CQSZACIVSA-N

Formula

C16H16N4O3S

Mass

344.39

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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

Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Aralkylamine - Secondary aliphatic/aromatic amine - 2-aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Lactam - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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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