Compound Identification
SMILES
CC(O)(COC(=O)C1=CC=CC=C1)C1=NN=C(O1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ZHGCPKQQJGXTBW-UHFFFAOYSA-N
Formula
C18H15ClN2O4
Mass
358.78
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
Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary alcohols Heteroaromatic compounds 1,3,4-oxadiazoles Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Tertiary alcohol - Oxadiazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Aromatic alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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