Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NN2C(C1)C1=CC=CC=C1OC2C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YAKKYWRBDHAIRM-UHFFFAOYSA-N
Formula
C25H21BrN2O4
Mass
493.357
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
Benzoxazines Dimethoxybenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Pyrazolines Azacyclic compounds Oxacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organobromides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoxazine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrazoline - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrazone - Ether - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organobromide - Organopnictogen compound - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - 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