Structure Information
Structure

Compound Identification

SMILES

CC(OC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O)C(=O)NC1=CC(=C(F)C=C1)[N+]([O-])=O

InChIKey

InChIKey=IDDHNFNJPULWTD-UHFFFAOYSA-N

Formula

C16H11ClFN3O7

Mass

411.73

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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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Anilide - Nitrobenzene - Benzoyl - N-arylamide - Nitroaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl fluoride - C-nitro compound - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic cation - 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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