Compound Identification
SMILES
CCCOC(=O)C1=C(Cl)C(NC=C(C(C)=O)C(=O)OCC)=CC(Cl)=C1Cl
InChIKey
InChIKey=ISIIBQPBPCKGHN-UHFFFAOYSA-N
Formula
C17H18Cl3NO5
Mass
422.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Fatty acid esters Chlorobenzenes Beta-keto acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Dicarboxylic acids and derivatives Vinylogous halides Vinylogous amides Acryloyl compounds Enones Enoate esters Amino acids and derivatives Ketones Secondary amines Allylamines Enamines Organopnictogen compounds Organic oxides Aldehydes Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Fatty acid ester - Halobenzene - Beta-keto acid - Dicarboxylic acid or derivatives - Aryl chloride - Keto acid - Aryl halide - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Enone - Acryloyl-group - Vinylogous amide - Vinylogous halide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Enamine - Allylamine - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aldehyde - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available