Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C(=O)OCC(Cl)(Cl)Cl

InChIKey

InChIKey=AKLGFJKSTJZEAP-ONXXMXGDSA-N

Formula

C17H17Cl3N2O6

Mass

451.68

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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 - Benzoate ester - Nitrobenzene - Piperidinecarboxylic acid - Tropane alkaloid - Benzoyl - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Carbamic acid ester - Pyrrolidine - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organic oxide - Carbonyl group - Alkyl chloride - Organic salt - Organic cation - 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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