Structure Information
Structure

Compound Identification

SMILES

NC1=C(C=NN1C1=CC(=CC(=C1)C(O)=O)C(O)=O)C#N

InChIKey

InChIKey=YRACTVCFGUJANX-UHFFFAOYSA-N

Formula

C12H8N4O4

Mass

272.22

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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

M-phthalic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta_phthalic_acid - Phenylpyrazole - Benzoic acid - Benzoyl - Azole - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Primary amine - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.

External Descriptors

Not available

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