Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(CN2C(=O)SC(=CC3=CC(Br)=C(OCC4=CC=C(F)C=C4)C=C3)C2=O)C=C1

InChIKey

InChIKey=PPPBNYAUBKDZCM-UHFFFAOYSA-N

Formula

C24H16BrFN2O5S

Mass

543.36

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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 - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - 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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