Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(NC(=O)[C@H](OC(=O)C2=CC(=C(C=C2)N(C)C)[N+]([O-])=O)C2=CC=CC=C2)=C1

InChIKey

InChIKey=SKUWCWZISKQRKR-JOCHJYFZSA-N

Formula

C24H23N3O6

Mass

449.463

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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 - Phenylacetamide - Benzyloxycarbonyl - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Anilide - Methoxyaniline - Phenol ether - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Nitroaromatic compound - Phenoxy compound - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Carboxylic acid derivative - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organic salt - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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