Compound Identification
SMILES
CC(C)(CNC=C1C=C(C=CC1=O)[N+]([O-])=O)N=CC1=CC(C=CC1=O)=[N+](O)[O-]
InChIKey
InChIKey=LQCKTHBNNAIIGA-UHFFFAOYSA-N
Formula
C18H18N4O6
Mass
386.364
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
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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
O-quinomethanes
Alternative Parents
Vinylogous amides Shiff bases Nitronic acids C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Dialkylamines Allylamines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
O-quinomethane - Vinylogous amide - C-nitro compound - Nitronic acid - Shiff base - Organic nitro compound - Allylamine - Secondary aliphatic amine - Enamine - Aldimine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Amine - Organic zwitterion - Organic oxide - Organic nitrogen compound - Organic salt - 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