Compound Identification
SMILES
[Na+].[O-]C(=O)C(=O)CC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=MJWPDORYZRKZTE-UHFFFAOYSA-M
Formula
C9H6NNaO5
Mass
231.139
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Phenylpropanoic acids Nitrobenzenes Nitroaromatic compounds Alpha-keto acids and derivatives Ketones Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - 3-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Alpha-keto acid - Keto acid - Carboxylic acid salt - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic sodium salt - Organic salt - Organic oxide - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available