Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(OC)=C1O)[N+]([O-])=O

InChIKey

InChIKey=VXTDGDVHINDLCV-UHFFFAOYSA-N

Formula

C9H9NO6

Mass

227.172

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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 - M-methoxybenzoic acid or derivatives - O-hydroxybenzoic acid ester - Nitrophenyl ether - Benzoate ester - Methoxyphenol - Nitrophenol - Salicylic acid or derivatives - Methoxyaniline - Nitrobenzene - Methoxybenzene - Nitroaromatic compound - Benzoyl - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenol - Vinylogous acid - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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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