Structure Information
Structure

Compound Identification

SMILES

CN(CCOC1=CC=C(Cl)C=C1)C(=O)COC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=UOQOPIMVOXSXBN-UHFFFAOYSA-N

Formula

C18H18ClN3O6

Mass

407.81

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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 homomonocyclic compounds

Substituents

Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Primary amine - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic 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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