Compound Identification
SMILES
[O-][N+](=O)CC1C2=CC=CC=C2N(CC(=O)C2=CC=C(Br)C=C2)C=C1C1=NC2=CC=CC=C2C=C1
InChIKey
InChIKey=WUTVINNZCBMROA-UHFFFAOYSA-N
Formula
C27H20BrN3O3
Mass
514.379
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
Hydroquinolones Hydroquinolines Tertiary alkylarylamines Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Pyridines and derivatives Heteroaromatic compounds Alpha-amino ketones C-nitro compounds Organic oxoazanium compounds Enamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic zwitterions Organobromides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Dihydroquinolone - Dihydroquinoline - Quinoline - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Pyridine - Benzenoid - Alpha-aminoketone - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Tertiary amine - Azacycle - Enamine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic salt - 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