Compound Identification
SMILES
O=C(CN\C=C1/C(=O)OC2=CC=CC=C2C1=O)C1=CC=CC=C1
InChIKey
InChIKey=ZWJPUZHHGCSFTH-UVTDQMKNSA-N
Formula
C18H13NO4
Mass
307.305
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
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 - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Chromones 3,4-dihydrocoumarins Benzoyl derivatives Aryl alkyl ketones Vinylogous amides Enoate esters Alpha-amino ketones Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Enamines Dialkylamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 3,4-dihydrocoumarin - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Enamine - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Allylamine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available