Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(C=CC(=C1)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCCC1

InChIKey

InChIKey=WJEBMPTYBJXFJH-UHFFFAOYSA-N

Formula

C25H32N2O5

Mass

440.54

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Azepane - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - C-nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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