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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Quaternary ammonium salts Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Azacyclic compounds Alkanolamines Primary alcohols Organic zwitterions Organic iodide salts Hydrocarbon derivatives
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