Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(COC(=O)C2=CC=C(C=C2)C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=JNOBYCFEIDNMMN-UHFFFAOYSA-N

Formula

C22H16N2O8

Mass

436.376

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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

Phthalic acid and derivatives - Phthalate esters

Direct Parent

p-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.

External Descriptors

Not available

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