Compound Identification
SMILES
[Na+].CC1=CC(OCC([O-])=O)=NC(N1)=C1C=CC(=O)C=C1
InChIKey
InChIKey=JIXYPTJNFRWTGG-UHFFFAOYSA-M
Formula
C13H11N2NaO4
Mass
282.231
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic 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 - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Imidolactones Hydropyrimidines Ketene acetals Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enamines Carboxylic acids Azacyclic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
P-quinomethane - Hydropyrimidine - 1,2-dihydropyrimidine - Imidolactone - Carboxylic acid salt - Imido ester - Ketene acetal or derivatives - Azacycle - Organic alkali metal salt - Carboxylic acid - Enamine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organic salt - Organic sodium salt - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available