Structure Information
Structure

Compound Identification

SMILES

CN1CCN(CC2=C(N=C(NC(C)=O)S2)C2=CC(=CC=C2)[N+]([O-])=O)CC1

InChIKey

InChIKey=XEECOCHTQBEAGQ-UHFFFAOYSA-N

Formula

C17H21N5O3S

Mass

375.45

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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 - N-acetylarylamine - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - N-arylamide - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Acetamide - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Amine - Organic nitrogen compound - Organic oxide - 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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