Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CSC(=N1)C(=CNC1=C(C=C(F)C=C1)[N+]([O-])=O)C#N

InChIKey

InChIKey=BQIKJILJERHAJA-UHFFFAOYSA-N

Formula

C19H13FN4O3S

Mass

396.4

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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 - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Enamine - Ether - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Cyanide - 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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