Compound Identification
SMILES
CCCC1=C(OCCCCC2=NN(CCCCC(O)=O)N=N2)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=MWKMYBONTIHNHL-UHFFFAOYSA-N
Formula
C21H30N4O5
Mass
418.494
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
Phenylpropanes Acetophenones Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Tetrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenylpropane - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Tetrazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic 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