Compound Identification
SMILES
OC(=O)C(=O)CC(=O)\C=C\C1=CC=CN1CC1=CC=CC=C1Cl
InChIKey
InChIKey=LLSXLEJUZAZMAL-BQYQJAHWSA-N
Formula
C17H14ClNO4
Mass
331.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
3-Acylpyruvic acids Heterocyclic fatty acids Halogenated fatty acids Chlorobenzenes Beta-diketones Unsaturated fatty acids Substituted pyrroles Alpha-keto acids and derivatives Aryl chlorides Acryloyl compounds Alpha-hydroxy ketones Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain keto acid - 3-acylpyruvic acid - Gamma-keto acid - Heterocyclic fatty acid - Chlorobenzene - Halogenated fatty acid - Halobenzene - 1,3-diketone - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Benzenoid - 1,3-dicarbonyl compound - Unsaturated fatty acid - Substituted pyrrole - Aryl chloride - Alpha-keto acid - Acryloyl-group - Enone - Pyrrole - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Alpha-hydroxy ketone - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available