Structure Information
Structure

Compound Identification

SMILES

CC1(C)N=C(C(C#N)=[N+]([O-])C(=O)C2=CC=CC=C2)C(C)(C)N1O

InChIKey

InChIKey=PWMCYOFPYIWFFO-UHFFFAOYSA-N

Formula

C16H18N4O3

Mass

314.345

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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 and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid or derivatives - Benzoyl - Azomethine - 3-imidazoline - Secondary ketimine - Ketimine - Nitrone - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - N-organohydroxylamine - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Cyanide - Imine - Organic salt - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.

External Descriptors

Not available

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