Compound Identification
SMILES
COC(=O)C(C(C)=O)=C1N=C(NC(=O)C2=CC=C(Cl)C=C2)C2=CC=CC=C12
InChIKey
InChIKey=KNZDABWXIBPSSL-UHFFFAOYSA-N
Formula
C20H15ClN2O4
Mass
382.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Isoindoles Benzoyl derivatives Beta-keto acids and derivatives Chlorobenzenes Fatty acid esters Aryl chlorides Acryloyl compounds Enoate esters Enones Methyl esters Ketones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Isoindole or derivatives - Isoindole - Benzoyl - Halobenzene - Beta-keto acid - Fatty acid ester - Chlorobenzene - Keto acid - Aryl chloride - Aryl halide - Fatty acyl - Acryloyl-group - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Enone - Carboxylic acid ester - Ketone - Amidine - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available