Compound Identification
SMILES
CCC(CN1N=C(CCC1=O)C1=CC=C(Cl)C=C1)C(=O)CCC(O)=O
InChIKey
InChIKey=PCOFTXHXJFZHEC-UHFFFAOYSA-N
Formula
C18H21ClN2O4
Mass
364.83
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
Gamma-keto acids and derivatives Pyridazinones Methyl-branched fatty acids Heterocyclic fatty acids Halogenated fatty acids Chlorobenzenes Aryl chlorides Ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain keto acid - Gamma-keto acid - Branched fatty acid - Chlorobenzene - Methyl-branched fatty acid - Pyridazinone - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyridazine - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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