Compound Identification
SMILES
COC1=C(NC(=O)[C@H](C)OC(=O)CCC(=O)C2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=XMHSJKKDKITVLU-ZDUSSCGKSA-N
Formula
C20H20N2O7
Mass
400.387
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
Butyrophenones Nitrophenyl ethers Anilides Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Phenoxy compounds Methoxybenzenes N-arylamides Nitroaromatic compounds Alkyl aryl ethers Fatty acid esters Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Nitrophenyl ether - Nitrobenzene - Anilide - Methoxyaniline - Anisole - Benzoyl - Gamma-keto acid - Phenoxy compound - Phenol ether - N-arylamide - Aryl alkyl ketone - Nitroaromatic compound - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Keto acid - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - 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