Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC(=O)N(CCC#N)CCC#N
InChIKey
InChIKey=ZPLRPPLOSWSJNE-UHFFFAOYSA-N
Formula
C15H16N4O3
Mass
300.318
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
N-phenylureas Benzoyl derivatives Vinylogous amides Methyl esters Ureas Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - N-phenylurea - Benzoyl - Vinylogous amide - Methyl ester - Carboxylic acid ester - Urea - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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