Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C1=CC2=C(OCCO2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=HLXNRVLOVLWCHZ-UHFFFAOYSA-N

Formula

C19H18N2O7

Mass

386.36

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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 - Benzoate ester - Aminobenzoic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Para-dioxin - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - C-nitro compound - Ketone - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Amine - Organonitrogen compound - 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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