Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1C(=O)C2C(NC(C2C1=O)(C(O)=O)C1=CC=CC=C1)C1=C(O)C=CC(Br)=C1
InChIKey
InChIKey=LALURXDCOGHXHY-UHFFFAOYSA-N
Formula
C27H21BrN2O6
Mass
549.377
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
Phenylpyrrolidines Alpha amino acids Acetophenones Pyrrolidine carboxylic acids P-bromophenols Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl bromides Pyrroles Dicarboximides Lactams Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Acetophenone - 4-halophenol - Benzoyl - 4-bromophenol - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - 2-pyrrolidone - Pyrrolidone - Aryl bromide - Carboxylic acid imide, n-substituted - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrrolidine - Carboxylic acid imide - Pyrrole - Dicarboximide - Amino acid or derivatives - Amino acid - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - 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