Compound Identification
SMILES
CCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=c2\c(=C)c(C#N)c(O)n(CCO)c2=O)o1
InChIKey
InChIKey=CSNKHAIUEUUWIA-ATVHPVEESA-N
Formula
C24H21ClN2O6
Mass
468.89
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
2-halobenzoic acids and derivatives 3-pyridinecarbonitriles Benzoyl derivatives Pyridinones Hydroxypyridines Chlorobenzenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Furans Lactams Carboxylic acid esters Oxacyclic compounds Alkanolamines Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Pyridinone - Hydroxypyridine - Aryl chloride - Aryl halide - Pyridine - Hydropyridine - Heteroaromatic compound - Vinylogous halide - Furan - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Alkanolamine - Carbonitrile - Nitrile - Organic oxide - Alcohol - Cyanide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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