Compound Identification
SMILES
O.Cl.CCOC(=O)C1=CC=C(C=C1)N=NC1=C(N)N=C(N)N=C1NCCCN(CC)CCCl
InChIKey
InChIKey=ZQEGUKGKOCEYNR-UHFFFAOYSA-N
Formula
C20H32Cl2N8O3
Mass
503.43
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
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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
Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azo compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organooxygen compounds Primary amines Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Azo compound - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - 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