Compound Identification
SMILES
CC(NNC(=O)C1=CC(=O)C(=O)C(O)=C1)=C1NC=CC=C1
InChIKey
InChIKey=LTRSOUITSRQFDN-UHFFFAOYSA-N
Formula
C14H13N3O4
Mass
287.275
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
Quinones
-
Level 8
Benzoquinones
- Level 9 O-benzoquinones
-
Level 8
Benzoquinones
-
Level 7
Quinones
-
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 - Quinones - Benzoquinones
Direct Parent
O-benzoquinones
Alternative Parents
Dihydropyridines Carboxylic acid hydrazides Enols Enamines Dialkylamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-benzoquinone - Dihydropyridine - Hydropyridine - Carboxylic acid hydrazide - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Enol - Allylamine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 2-positions, respectively.
External Descriptors
Not available