Compound Identification
SMILES
COC1=CC(C(=O)COC(=O)C2=C(C(C)=CC=C2)[N+]([O-])=O)=C(OC)C=C1
InChIKey
InChIKey=POQCCEUGPUGEMQ-UHFFFAOYSA-N
Formula
C18H17NO7
Mass
359.334
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
Nitrobenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Nitrobenzenes Nitrotoluenes Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzoate - Benzoate ester - Dimethoxybenzene - P-dimethoxybenzene - Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Anisole - Nitroaromatic compound - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - 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