Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=HSQIULHGKGIGAF-UHFFFAOYSA-N
Formula
C16H14BrNO3
Mass
348.196
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
Aminobenzoic acids and derivatives Benzoic acid esters Phenylalkylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Bromobenzenes Aryl bromides Vinylogous amides Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organobromides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Benzoyl - Secondary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic 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