Structure Information
Structure

Compound Identification

SMILES

CCN(C(=O)COC(=O)C1=CC(=C(NCCOC)C=C1)[N+]([O-])=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=HSFZRUPNBLNXTN-UHFFFAOYSA-N

Formula

C20H22FN3O6

Mass

419.409

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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 - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Carboxamide group - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - 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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