Compound Identification
SMILES
CC1=CC(=NO1)C(=O)NC1=C(OC2=C1C=C(Br)C=C2)C(=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=JGFSIHVHVASICA-UHFFFAOYSA-N
Formula
C21H12BrN3O4
Mass
450.248
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 Aryl-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
Aryl-phenylketones
Alternative Parents
Benzofurans 2-heteroaryl carboxamides Benzoyl derivatives Benzonitriles Aryl bromides Vinylogous amides Isoxazoles Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Benzofuran - 2-heteroaryl carboxamide - Benzonitrile - Benzoyl - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Furan - Isoxazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available