Compound Identification
SMILES
CC(=O)C1=C(O)C(Br)=C(OCCCCOC2=CC=C(C=C2)C2=NNN=N2)C=C1
InChIKey
InChIKey=WQSWSCFDPJRFHF-UHFFFAOYSA-N
Formula
C19H19BrN4O4
Mass
447.289
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
Phenyltetrazoles and derivatives Acetophenones Phenoxy compounds Phenol ethers O-bromophenols Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltetrazole - Acetophenone - Phenoxy compound - Benzoyl - 2-halophenol - 2-bromophenol - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Vinylogous acid - Tetrazole - Azole - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Aromatic heteromonocyclic 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