Compound Identification
SMILES
CC(OC(=O)C1=CC=CC=C1)O\C(=C(\C#N)C1=CC=C(C=C1)C(C)(C)C)C1=C(Cl)C(C)=NN1C
InChIKey
InChIKey=RLMNEBKLZHSBJD-LVWGJNHUSA-N
Formula
C27H28ClN3O3
Mass
477.99
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
Phenylpropanes Benzoyl derivatives Aryl chlorides Pyrazoles Heteroaromatic compounds Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenylpropane - Benzoyl - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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