Compound Identification
SMILES
C[C@@H](N[C@@H](CC(=O)C1=CC=C(Br)C=C1)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=PBAINNIDDTZARI-WBMJQRKESA-N
Formula
C18H18BrNO3
Mass
376.25
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 L-alpha-amino acids Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Bromobenzenes Aralkylamines Beta-amino ketones Aryl bromides Amino acids Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aralkylamine - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - 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