Compound Identification
SMILES
N#CC(N1CCOCC1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=XRCBMEHPDZIWES-UHFFFAOYSA-N
Formula
C13H13N3O
Mass
227.267
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
Aralkylamines Morpholines Trialkylamines Alpha-aminonitriles Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Alpha-aminonitrile - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Dialkyl ether - Azacycle - Oxacycle - Organic nitrogen compound - Amine - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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