Compound Identification
SMILES
CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CN(C(C)C)C(=O)CCCO[N+]([O-])=O)C=C1
InChIKey
InChIKey=NXQWTHGLXFJULI-UHFFFAOYSA-N
Formula
C22H33N3O8
Mass
467.519
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
Acetophenones Anilides Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives N-arylamides Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Alkyl nitrates Secondary carboxylic acid amides Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Organic oxides Organic zwitterions Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Anilide - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Phenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Alkyl nitrate - Organic nitrate - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Organic nitro compound - Carboxamide group - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Alcohol - Aromatic homomonocyclic 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