Compound Identification
SMILES
N[C@@H](CC(=O)C1=C(N)C(O)=CC=C1)C([O-])=O
InChIKey
InChIKey=VCKPUUFAIGNJHC-LURJTMIESA-M
Formula
C10H11N2O4
Mass
223.209
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
-
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 L-alpha-amino acids Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives o-Aminophenols Gamma-keto acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Beta-amino ketones Vinylogous amides Carboxylic acid salts Amino acids Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - Gamma-keto acid - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Beta-aminoketone - Keto acid - Benzenoid - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic anion - 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