Structure Information
Structure

Compound Identification

SMILES

CC(=O)N(CCN1CCOCC1)C1=NC(=CS1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=AIRQEAXEZKMYGX-UHFFFAOYSA-N

Formula

C17H20N4O4S

Mass

376.43

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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 - 2,4-disubstituted 1,3-thiazole - Morpholine - Oxazinane - Azole - Tertiary carboxylic acid amide - Thiazole - Acetamide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organic oxoazanium - Ether - Azacycle - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Amine - Organic salt - 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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