Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)C[C@]1(O)C(=O)N(CC2=CC=C(C)C=C2)C2=C1C=C(Br)C=C2)[N+]([O-])=O
InChIKey
InChIKey=RSQSVIKOXZQATM-RUZDIDTESA-N
Formula
C25H21BrN2O6
Mass
525.355
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
Nitrophenyl ethers Indoles and derivatives Methoxyanilines Anisoles Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Toluenes Alkyl aryl ethers Aryl bromides Beta-hydroxy ketones Tertiary alcohols Tertiary carboxylic acid amides Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Indole or derivatives - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - Toluene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Beta-hydroxy ketone - Tertiary alcohol - Tertiary carboxylic acid amide - Organic nitro compound - Lactam - C-nitro compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Aromatic heteropolycyclic 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