Compound Identification
SMILES
[O-][N+](=O)C1=C(Br)C=CC(=C1)C(=O)OCC(=O)C1=CC(F)=CC=C1
InChIKey
InChIKey=ZKRZHPNWGOTKMV-UHFFFAOYSA-N
Formula
C15H9BrFNO5
Mass
382.141
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
Nitrobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organobromides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzoate - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Aryl alkyl ketone - Benzoyl - Nitroaromatic compound - Fluorobenzene - Bromobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organobromide - Organic salt - Organohalogen compound - Organic cation - 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