Compound Identification
SMILES
COC(=O)C(=O)CC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=BJUFXOPELRQGNJ-UHFFFAOYSA-N
Formula
C10H9NO5
Mass
223.184
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
Nitrobenzenes Nitroaromatic compounds Fatty acid esters Alpha-keto acids and derivatives Methyl esters Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Alpha-keto acid - Keto acid - Fatty acyl - Methyl ester - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - 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