Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)C(C)N1CCC(CC1)NC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=VGCQMVVUDYFXBB-UHFFFAOYSA-N
Formula
C22H27N3O5
Mass
413.474
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
Dimethoxybenzenes Nitrobenzenes Phenylpropanes Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Alkyl aryl ethers Aminopiperidines Alpha-amino ketones Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Anisole - Methoxybenzene - Phenoxy compound - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aryl alkyl ketone - Phenol ether - 4-aminopiperidine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Piperidine - Benzenoid - Alpha-aminoketone - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Organoheterocyclic compound - Secondary amine - Azacycle - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic zwitterion - Amine - 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