Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C2SC(=O)N(CC(=O)NC3=CC=CC=C3F)C2=O)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=NYKNFBYEAOOPEY-UHFFFAOYSA-N

Formula

C18H12FN3O6S

Mass

417.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Nitrophenols

Intermediate Tree Nodes

Not available

Direct Parent

Nitrophenols

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Nitrophenol - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Thiazolidinedione - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic salt - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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