Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C[NH+]2CCN(CC2)C(=O)C2=CC=CS2)C=C1

InChIKey

InChIKey=XFAZTBNRJSOIAC-UHFFFAOYSA-O

Formula

C16H18N3O3S

Mass

332.4

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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 - Benzylamine - 2-heteroaryl carboxamide - Phenylmethylamine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Nitroaromatic compound - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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