Compound Identification
SMILES
CCN1C(=O)C(C#N)C(C)=C(N=NC2=CC=C(C=C2)C(=O)OCCOCCOC)C1=O
InChIKey
InChIKey=KLHFONYFYSGIGI-UHFFFAOYSA-N
Formula
C21H24N4O6
Mass
428.445
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
Alpha amino acids and derivatives Benzoyl derivatives N-substituted carboxylic acid imides Hydropyridines Dicarboximides Carboxylic acid esters Azo compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - Benzoyl - Hydropyridine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Azo compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxygen compound - Cyanide - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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