Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)C(=O)CN1C=NC2=C(C=C(Br)C=C2)C1=O
InChIKey
InChIKey=JZUWCKJNIUXECA-UHFFFAOYSA-N
Formula
C17H12BrClN2O3
Mass
407.65
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
Quinazolines Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinazoline - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Anisole - Chlorobenzene - Alkyl aryl ether - Pyrimidone - Halobenzene - Aryl halide - Benzenoid - Pyrimidine - Aryl chloride - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organochloride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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