Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(F)F)C=CC(COC(=O)C2=CC(OC)=C(OC)C=C2[N+]([O-])=O)=C1

InChIKey

InChIKey=HJUJGCBDIOICQP-UHFFFAOYSA-N

Formula

C18H17F2NO8

Mass

413.33

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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 - P-methoxybenzoic acid or derivatives - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Methoxyaniline - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic salt - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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