Compound Identification
SMILES
CN1C2=C(N(CC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C(Br)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=KPRBDGIRCKUIED-UHFFFAOYSA-N
Formula
C15H12BrN5O5
Mass
422.195
Taxonomic Classification
Taxonomy Tree
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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
Xanthines 6-oxopurines Alkaloids and derivatives Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Pyrimidones N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Lactams Ureas Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organic zwitterions Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Nitrobenzene - Purine - Alkaloid or derivatives - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Organic nitro compound - C-nitro compound - Lactam - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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