Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC2=C(C=C(C=C2)C#N)[C@@H](N=C(NC#N)NC2=CC=C(C=C2)C(O)=O)[C@@H]1O

InChIKey

InChIKey=WUZNSFBONAPOHI-MSOLQXFVSA-N

Formula

C21H19N5O4

Mass

405.414

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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 heteropolycyclic compounds

Substituents

Guanidinobenzoic acid - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Benzoic acid - Benzoyl - Alkyl aryl ether - Guanidine - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic 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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