Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)C1C(N(CCO)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=SAUKTZSFDBODJQ-UHFFFAOYSA-N
Formula
C21H20N2O7
Mass
412.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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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
Phenylpyrrolidines Nitrobenzenes Aryl alkyl ketones Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Beta-diketones Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Cyclic ketones Lactams Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Primary alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyrrolidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1,3-diketone - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Cyclic ketone - Lactam - C-nitro compound - Organic nitro compound - Carboxamide group - Alkanolamine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Primary alcohol - Organic nitrogen compound - Alcohol - Organic oxide - 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