Compound Identification
SMILES
CN1C=C(C=C1CC1=CC(Cl)=CC=C1)C(=O)CC(=O)C(O)=O
InChIKey
InChIKey=TVVIDKUHPHQEAJ-UHFFFAOYSA-N
Formula
C16H14ClNO4
Mass
319.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Gamma-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Aryl alkyl ketones Beta-diketones Chlorobenzenes Alpha-keto acids and derivatives N-methylpyrroles Aryl chlorides Vinylogous amides Alpha-hydroxy ketones Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - 1,3-diketone - N-methylpyrrole - Alpha-keto acid - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Alpha-hydroxy ketone - Vinylogous amide - Heteroaromatic compound - Pyrrole - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available