Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)C1C(OC(=O)C1=O)C1OC(=O)C(=O)C1C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=IPGYIDVVHAVPDX-UHFFFAOYSA-N
Formula
C22H12N2O12
Mass
496.34
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
-
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
Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Dicarboxylic acids and derivatives Furanones Gamma butyrolactones Oxolanes Carboxylic acid esters Cyclic ketones Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 1,3-diketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 3-furanone - Gamma butyrolactone - 1,3-dicarbonyl compound - Benzenoid - Oxolane - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Cyclic ketone - Organic oxoazanium - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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