Compound Identification
SMILES
[O-][N+](=O)C1=NC=CN1CC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NMRPYPKWRYNBNU-UHFFFAOYSA-N
Formula
C11H8BrN3O3
Mass
310.107
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
Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Bromobenzenes N-substituted imidazoles Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Organobromides Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - 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