Compound Identification
SMILES
NC(C(OC(C(N)C(O)=O)C(=O)C1=CC=CC=C1N)C(=O)C1=CC=CC=C1N)C(O)=O
InChIKey
InChIKey=PLLBOFKHLCBWQT-UHFFFAOYSA-N
Formula
C20H22N4O7
Mass
430.417
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
Butyrophenones Alpha amino acids Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Monosaccharides Dicarboxylic acids and derivatives Beta-amino ketones Vinylogous amides Amino acids Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid or derivatives - Alpha-amino acid - Aniline or substituted anilines - Aryl alkyl ketone - Gamma-keto acid - Benzoyl - Benzenoid - Monosaccharide - Keto acid - Dicarboxylic acid or derivatives - Beta-aminoketone - Monocyclic benzene moiety - Vinylogous amide - Amino acid - Amino acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic 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