Compound Identification
SMILES
CCOC(=O)C1=CC(=CC=C1)N1N=C2COCC=C2C(C#N)=C1N
InChIKey
InChIKey=JQUZMXKWOYVJLX-UHFFFAOYSA-N
Formula
C17H16N4O3
Mass
324.34
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
Pyrano[3,4-c]pyridazines Benzoyl derivatives Pyridazines and derivatives Pyrans Ketene acetals Carboxylic acid esters Oxacyclic compounds Nitriles Hydrazones Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrano[3,4-c]pyridazine - Benzoyl - Pyran - Pyridazine - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrazone - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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