Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)N1C(=O)C2C3C=CC4=CC=CC=C4N3C(C2C1=O)C(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=CMICDHUVEMGCEC-UHFFFAOYSA-N
Formula
C31H27N3O6
Mass
537.572
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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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
Phenylpyrrolidines Hydroquinolones Hydroquinolines Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Phenol ethers Dialkylarylamines Nitroaromatic compounds Alkyl aryl ethers Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Pyrroles Alpha-amino ketones Lactams Amino acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Dihydroquinolone - Dihydroquinoline - Nitrobenzene - Benzoyl - Dialkylarylamine - Aryl alkyl ketone - Phenol ether - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - 2-pyrrolidone - Carboxylic acid imide, n-substituted - Pyrrolidone - Benzenoid - Alpha-aminoketone - Carboxylic acid imide - Dicarboximide - Pyrrole - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Organic nitro compound - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organic zwitterion - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic salt - 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