Structure Information
Structure

Compound Identification

SMILES

OCC1=C(C=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1O[C@@H]1COCC1=CC=CC=C1

InChIKey

InChIKey=SQSDORPDLUFCDE-AEFFLSMTSA-N

Formula

C18H17NO7

Mass

359.334

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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 heteromonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Benzyl alcohol - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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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