Compound Identification
SMILES
CC(=O)C1=[N+](NOC1=O)C1=CC=CC=C1C#N
InChIKey
InChIKey=JPZLTLAYYUIEBP-UHFFFAOYSA-O
Formula
C11H8N3O3
Mass
230.202
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
Aryl alkyl ketones Heteroaromatic compounds 1,2,3-oxadiazoles Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aryl ketone - Aryl alkyl ketone - Azole - Oxadiazole - 1,2,3-oxadiazole - Heteroaromatic compound - Ketone - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Oxacycle - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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