Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(=O)C23CCC(C)(C(C2)=NOC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C3(C)C)=C(C)C=C1

InChIKey

InChIKey=PDKRFCAVDARXOW-UHFFFAOYSA-N

Formula

C26H29N3O5

Mass

463.534

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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 homopolycyclic compounds

Substituents

Nitrobenzoate - Aromatic monoterpenoid - Bornane monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Nitrobenzene - Anilide - Benzoyl - Nitroaromatic compound - P-xylene - Xylene - N-arylamide - Oximester - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic 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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