Structure Information
Structure

Compound Identification

SMILES

COC1=NC(NC2=CC=C(C=C2)C(O)=O)=NC(C)=C1

InChIKey

InChIKey=VXBKBKZFGBAMSF-UHFFFAOYSA-N

Formula

C13H13N3O3

Mass

259.265

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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

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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