Compound Identification
SMILES
COC1=CC(CC(=O)OCC(=O)C2=CC(=C(OC)C=C2)[N+]([O-])=O)=CC(OC)=C1OC
InChIKey
InChIKey=AODXEKSLYCUQSX-UHFFFAOYSA-N
Formula
C20H21NO9
Mass
419.386
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
Nitrophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Alpha-acyloxy ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenol ether - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - Anisole - Alkyl aryl ether - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic zwitterion - 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