Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC(=O)C1=CC=C(CNC(=O)NC2=C[N+](=NO2)C(C)CC2=CC=CC=C2)C=C1

InChIKey

InChIKey=KFBWDUGTINRTBE-UHFFFAOYSA-N

Formula

C21H23ClN4O4

Mass

430.89

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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

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Amphetamine or derivatives - Benzoate ester - Phenylpropane - Benzoyl - Azole - Oxadiazole - Heteroaromatic compound - 1,2,3-oxadiazole - Methyl ester - Carboxylic acid ester - Urea - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organopnictogen compound - Organic oxide - Organic chloride salt - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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