Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)OCC1=C(C)C=C(C=C1C)C(C)(C)C

InChIKey

InChIKey=SCUJQCNGFQUYME-UHFFFAOYSA-N

Formula

C22H25NO6

Mass

399.443

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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

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - M-xylene - Xylene - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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