Structure Information
Structure

Compound Identification

SMILES

OCC1OC(OC2C(O)C(O)C(NC3=CC(=CC(=C3)C(O)=O)[N+]([O-])=O)OC2CO)C(O)C(O)C1O

InChIKey

InChIKey=WPAMIQRNOLMGDH-UHFFFAOYSA-N

Formula

C19H26N2O14

Mass

506.417

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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 - Disaccharide - Glycosyl compound - N-glycosyl compound - O-glycosyl compound - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Oxane - Secondary alcohol - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Polyol - Acetal - Carboxylic acid - Oxacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic zwitterion - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - 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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