Compound Identification
SMILES
NC1=CC(C(O)=O)C(=O)CC1=O
InChIKey
InChIKey=WDKCRYMPIAJNRI-UHFFFAOYSA-N
Formula
C7H7NO4
Mass
169.136
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 M-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
M-benzoquinones
Alternative Parents
Cyclohexenones Beta-diketones Amino acids Monocarboxylic acids and derivatives Enamines Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
M-benzoquinone - Cyclohexenone - 1,3-diketone - 1,3-dicarbonyl compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively.
External Descriptors
Not available