Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC1=CC=CC=C1[C@@H](C)CC)[N+]([O-])=O

InChIKey

InChIKey=JZAYVOFFSKQVNL-AWEZNQCLSA-N

Formula

C21H24N2O6

Mass

400.431

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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 - Nitrophenyl ether - Benzoate ester - Nitrobenzene - Phenylpropane - Anilide - Nitroaromatic compound - Benzoyl - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic cation - 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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