Structure Information
Structure

Compound Identification

SMILES

CC(=O)N(C1=NC(COC(=O)C2=CC(=C(N)C=C2)[N+]([O-])=O)=CS1)C1=CC=CC=C1F

InChIKey

InChIKey=YIHDDKYCEWNGNO-UHFFFAOYSA-N

Formula

C19H15FN4O5S

Mass

430.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzoate - O-haloacetanilide - Haloacetanilide - Benzoate ester - Aminobenzoic acid or derivatives - Acetanilide - Nitrobenzene - Anilide - Aniline or substituted anilines - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Aryl halide - Aryl fluoride - Azole - Thiazole - Acetamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Tertiary amine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Amine - Primary amine - Organic oxygen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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