Compound Identification
SMILES
[Ac].OCC1=CNC=[N+]1CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=DXPCDHCPTHSLPX-UHFFFAOYSA-O
Formula
C12H12AcN3O
Mass
441.247
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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
N-substituted imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols Organic cations
Molecular Framework
Not available
Substituents
Benzonitrile - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Cyanide - Organic cation - 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