Compound Identification
SMILES
COC(=O)C(C(C)=O)C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=PGOXWDQCESOGPB-UHFFFAOYSA-N
Formula
C12H10N2O8
Mass
310.218
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 Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Beta-keto acids and derivatives Fatty acid esters Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Beta-keto acid - 1,3-diketone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Keto acid - 1,3-dicarbonyl compound - Benzenoid - Methyl ester - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organonitrogen compound - Organic salt - Hydrocarbon derivative - 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