Structure Information
Structure

Compound Identification

SMILES

C[C@H](OC(=O)C1=CC2=C(OCCO2)C=C1[N+]([O-])=O)C(=O)N1[C@H](C)CC2=CC=CC=C12

InChIKey

InChIKey=UALRLGADJGBYPQ-OLZOCXBDSA-N

Formula

C21H20N2O7

Mass

412.398

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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 - Benzo-1,4-dioxane - Benzodioxane - Indole or derivatives - Nitroaromatic compound - Alkyl aryl ether - Para-dioxin - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Ether - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic salt - 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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