Compound Identification
SMILES
O=C1COCC2=C1C(C1=CC=CC(=C1)C#N)C1=C(CCOC1=O)N2
InChIKey
InChIKey=BHNOFFULCKLRON-UHFFFAOYSA-N
Formula
C18H14N2O4
Mass
322.32
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
Dihydropyridines Dihydropyranones Vinylogous amides Enoate esters Lactones Ketones Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Enamines Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Dihydropyranone - Dihydropyridine - Pyran - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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