Compound Identification
SMILES
COC(=O)C(=O)C(C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PSXRLXPQECEZOF-UHFFFAOYSA-N
Formula
C11H11BrO3
Mass
271.11
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
Fatty acid esters Bromobenzenes Aryl bromides Alpha-keto acids and derivatives Methyl esters Ketones Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - Bromobenzene - Fatty acid ester - Halobenzene - Alpha-keto acid - Aryl bromide - Aryl halide - Fatty acyl - Keto acid - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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