Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)C1=C(Cl)C=C(C=C1)C(F)(F)F)[N+]([O-])=O

InChIKey

InChIKey=NEUQQLHYZBGHPU-UHFFFAOYSA-N

Formula

C15H9ClF3NO5S

Mass

407.74

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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 homomonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Trifluoromethylbenzene - M-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Methyl ester - C-nitro compound - Sulfoxide - Organic nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Sulfinyl compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic 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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