Compound Identification
SMILES
OC(=O)C(=O)CC(=O)C1=CC=CN1CC1=CC=CC(=C1)C#N
InChIKey
InChIKey=KEUBUMXPBHMYKB-UHFFFAOYSA-N
Formula
C16H12N2O4
Mass
296.282
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
Gamma-keto acids and derivatives Aryl alkyl ketones Beta-diketones Substituted pyrroles Alpha-keto acids and derivatives Heteroaromatic compounds Alpha-hydroxy ketones Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Alpha-keto acid - Keto acid - 1,3-dicarbonyl compound - Substituted pyrrole - Heteroaromatic compound - Alpha-hydroxy ketone - Pyrrole - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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