Compound Identification
SMILES
O=C(COC(=O)C1=CC=C(C=C1)C#N)C1=CC=CN1
InChIKey
InChIKey=WLIXYQOYKBMRRG-UHFFFAOYSA-N
Formula
C14H10N2O3
Mass
254.245
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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 Benzonitriles Aryl alkyl ketones Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzonitrile - Benzoyl - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Ketone - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen 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