Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C(N=C(S1)C1=C(NC2=CC=CC=C2)C=CC(=C1F)[N+]([O-])=O)N(C)C)C(=O)OC

InChIKey

InChIKey=BSIQVIBVYWUMIY-UHFFFAOYSA-N

Formula

C22H21FN4O6S

Mass

488.49

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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 - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Primary aromatic amine - Imidothiolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic salt - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic zwitterion - 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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