Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@H](Cl)C1=C(C=C(C=C1)N=C(N)N)C([O-])=O

InChIKey

InChIKey=HIYFNBISGUASFH-VIFPVBQESA-M

Formula

C12H13ClN3O4

Mass

298.7

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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

Aminobenzoic acids and derivatives - Guanidinobenzoic acids and derivatives

Direct Parent

Guanidinobenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Guanidinobenzoic acid - Benzoic acid - Benzoyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid salt - Guanidine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic anion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as guanidinobenzoic acids. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.

External Descriptors

Not available

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