Compound Identification
SMILES
OC(=O)C1=C(O)C=CC(=C1)N(CC(=O)C1=CC(Br)=CC=C1)S(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=FPHVESKSRVTLJV-UHFFFAOYSA-N
Formula
C21H15BrN2O8S
Mass
535.32
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
-
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
Benzenesulfonamides Sulfanilides Salicylic acids Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Organosulfonamides Aryl bromides Vinylogous acids Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organic oxides Organobromides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Sulfanilide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl halide - Organosulfonic acid amide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Vinylogous acid - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organosulfur compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen 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