Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(NCC2=CC=CO2)=C(C=C1)C(O)=O

InChIKey

InChIKey=QBHPTQBZSVFDSO-UHFFFAOYSA-N

Formula

C13H11NO5

Mass

261.233

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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

Phthalic acid and derivatives

Direct Parent

P-phthalic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Para_phthalic_acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Heteroaromatic compound - Vinylogous amide - Furan - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Secondary amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.

External Descriptors

Not available

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