Compound Identification
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC(C)=CC(=C1O)[N+]([O-])=O
InChIKey
InChIKey=CTRVSQSUFVRCOP-UHFFFAOYSA-N
Formula
C13H13NO7
Mass
295.247
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 Nitrophenols Nitrotoluenes Nitrobenzenes Para cresols Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Gamma-keto acids and derivatives Beta-diketones Fatty acid esters Alpha-keto acids and derivatives Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Nitrophenol - Nitrotoluene - Nitrobenzene - Benzoyl - Nitroaromatic compound - Gamma-keto acid - P-cresol - Aryl alkyl ketone - Fatty acid ester - 1,3-diketone - Phenol - Toluene - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Vinylogous acid - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic cation - 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