Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CC[NH+](CC2=CC=C(C=C2)[N+]([O-])=O)CC1
InChIKey
InChIKey=XIESRYMJOUJYFR-UHFFFAOYSA-O
Formula
C19H22N3O3
Mass
340.402
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
N-arylpiperazines Phenylpiperazines Acetophenones Nitrobenzenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Benzylamines Dialkylarylamines Nitroaromatic compounds Phenylmethylamines N-alkylpiperazines Aralkylamines Quaternary ammonium salts Trialkylamines Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aralkylamine - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organic salt - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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