Structure Information
Structure

Compound Identification

SMILES

CC1(C)C2(C)CCC1(CC2=NOC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C(=O)NC1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=NJPKWEQZCKIDQV-UHFFFAOYSA-N

Formula

C24H22Cl2N4O7

Mass

549.36

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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 - Norbornane monoterpenoid - Bornane monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Nitrobenzene - Anilide - Nitroaromatic compound - 1,2-dichlorobenzene - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Oximester - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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