Compound Identification
SMILES
CC(=O)C1=C(NC2=CC(=O)C3=C(C=CC=N3)C2=O)C=C(Br)C=C1
InChIKey
InChIKey=NNZSFLLODLQQBM-UHFFFAOYSA-N
Formula
C17H11BrN2O3
Mass
371.19
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
Quinoline quinones Hydroquinolines Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Bromobenzenes Pyridines and derivatives Aryl bromides Vinylogous amides Heteroaromatic compounds Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinoline quinone - Dihydroquinoline - Acetophenone - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Enamine - Azacycle - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Amine - 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