Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@@H](NC2=CC(=CC(=C2)C(O)=O)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@H]1O

InChIKey

InChIKey=MUMVSFLQZQEXFZ-NWOINBQQSA-N

Formula

C13H16N2O8

Mass

328.277

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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 - Glycosyl compound - N-glycosyl compound - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Monosaccharide - Oxane - C-nitro compound - Organic nitro compound - Secondary alcohol - Polyol - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic 1,3-dipolar compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Amine - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic zwitterion - 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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