Compound Identification
SMILES
CC(O)=O.COC1=CC(=O)\C(=C\N\N=C(\N)NO)C(OC)=C1
InChIKey
InChIKey=JYTHLJCLYMCRBK-YJOCEBFMSA-N
Formula
C12H18N4O6
Mass
314.298
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 O-quinomethanes
-
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
O-quinomethanes
Alternative Parents
N-hydroxyguanidines Vinylogous esters Vinylogous amides Monocarboxylic acids and derivatives Hydrazones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
O-quinomethane - N-hydroxyguanidine - Vinylogous ester - Vinylogous amide - Guanidine - Monocarboxylic acid or derivatives - Hydrazone - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available