Compound Identification
SMILES
CN1C2C[C@H](OC(C)=O)C1C[C@@H](C2)OC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CWRGICDKIVZZFB-KNIAUWFNSA-N
Formula
C17H20ClNO4
Mass
337.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
4-halobenzoic acids and derivatives Tropane alkaloids Benzoyl derivatives Chlorobenzenes Aryl chlorides Piperidines Dicarboxylic acids and derivatives N-alkylpyrrolidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Tropane alkaloid - Benzoyl - Chlorobenzene - Halobenzene - N-alkylpyrrolidine - Aryl halide - Aryl chloride - Piperidine - Dicarboxylic acid or derivatives - Pyrrolidine - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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