Structure Information
Structure

Compound Identification

SMILES

[I-].OCCN(\N=C\C1=CC=C(C=C1)C#N)C1=NCC[NH2+]1

InChIKey

InChIKey=NTEYCQBRQGUYKN-LZMXEPDESA-N

Formula

C13H16IN5O

Mass

385.209

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - 2-imidazoline - Quaternary ammonium salt - Guanidine - Alkanolamine - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Cyanide - Organic salt - Alcohol - Organic iodide salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

Previous Back Next