Compound Identification
SMILES
CC(=O)O[C@@H]1[C@@H](O)C2=C([C@@H](OC(C)=O)[C@@]1(C)O)C([N+]#N)=C1C2=C(O)C2=CC=CC(=O)C2=C1O
InChIKey
InChIKey=MMPWFGWAKNXPLJ-DXBBTUNJSA-O
Formula
C22H19N2O9
Mass
455.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
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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
Direct Parent
Aryl ketones
Alternative Parents
Dicarboxylic acids and derivatives Cyclitols and derivatives Benzenoids Vinylogous acids Tertiary alcohols Secondary alcohols Carboxylic acid esters Polyols Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aryl ketone - Cyclitol or derivatives - Dicarboxylic acid or derivatives - Benzenoid - Tertiary alcohol - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available