Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(CC[N+]([O-])=O)=CC(N\C(NC(=O)OC(C)(C)C)=N\C(=O)OC(C)(C)C)=C1

InChIKey

InChIKey=LODXOLOYGRFKLS-UHFFFAOYSA-N

Formula

C21H30N4O8

Mass

466.491

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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

Direct Parent

Guanidinobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Guanidinobenzoic acid or derivatives - Benzoate ester - Benzoyl - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Guanidine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxygen compound - Imine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).

External Descriptors

Not available

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