Compound Identification
SMILES
[Br-].C[N+]1(CC(=O)C2=CC(=CC=C2)[N+]([O-])=O)CCOCC1
InChIKey
InChIKey=UTPUZFBZWGQQDM-UHFFFAOYSA-M
Formula
C13H17BrN2O4
Mass
345.193
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
Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Morpholines Tetraalkylammonium salts Alpha-amino ketones Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Alpha-aminoketone - Tetraalkylammonium salt - Quaternary ammonium salt - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic bromide salt - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic salt - Amine - Organic oxide - Organic cation - 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