Compound Identification
SMILES
CC(N1CCC(OC2=CC=C(C=C2)C#N)C(C1)C1=CC=CC=C1)C(=O)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=BFYSRBRRIKENML-UHFFFAOYSA-N
Formula
C27H25N3O4
Mass
455.514
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
Phenylpiperidines Nitrobenzenes Phenylpropanes Aryl alkyl ketones Benzonitriles Benzoyl derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Alpha-amino ketones Trialkylamines Nitriles Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperidine - Nitrobenzene - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Benzonitrile - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Alpha-aminoketone - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Ether - Carbonitrile - Nitrile - Organic salt - Organic nitrogen compound - Cyanide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic zwitterion - 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