Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)CSC2=NN=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C=CC(F)=C1

InChIKey

InChIKey=BIUKVCNLQCYSAO-UHFFFAOYSA-N

Formula

C17H13FN4O4S

Mass

388.37

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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 - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Oxadiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - 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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