Compound Identification
SMILES
COC(=O)C1=C(C(C)C(=O)C2=CC=CC=C2)C(C(=O)OC)=C2C(NN(C2=O)C2=CC=CC=C2)=N1
InChIKey
InChIKey=CIQJMJQXTUYGCP-UHFFFAOYSA-N
Formula
C25H21N3O6
Mass
459.458
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
Phenylpyrazoles Pyridinecarboxylic acids Pyrazolopyridines Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Pyrazolones Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpyrazole - Phenylpropane - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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