Compound Identification
SMILES
O=C(C(=CNC1=CC=CC=N1)C#N)C1=CC=CO1
InChIKey
InChIKey=OQXJVIYHJGTXCN-UHFFFAOYSA-N
Formula
C13H9N3O2
Mass
239.234
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Aryl ketones
Alternative Parents
Aminopyridines and derivatives Imidolactams Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Heteroaromatic compounds Furans Enones Acryloyl compounds Oxacyclic compounds Nitriles Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - Aminopyridine - Pyridine - Alpha-branched alpha,beta-unsaturated-ketone - Imidolactam - Acryloyl-group - Enone - Furan - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Vinylogous amide - Nitrile - Carbonitrile - Enamine - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Cyanide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available