Structure Information
Structure

Compound Identification

SMILES

OCCOCCN1C(C2=CC=CS2)C(=C(O)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)C1=O

InChIKey

InChIKey=CNWRWSYGFPJVKK-UHFFFAOYSA-N

Formula

C19H18N2O7S

Mass

418.42

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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 - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Vinylogous acid - Carboxamide group - Ketone - Lactam - C-nitro compound - Organic nitro compound - Cyclic ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Enol - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Primary alcohol - Organic zwitterion - Organic oxygen 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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