Compound Identification
SMILES
NC1=NC2=C(N=CN2[C@H]2CO[C@@H](COC(=O)C3=CC=CC=C3)O2)C(Cl)=N1
InChIKey
InChIKey=WLWWFFMPDQZMMO-GHMZBOCLSA-N
Formula
C16H14ClN5O4
Mass
375.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
Purines and purine derivatives Benzoyl derivatives Aminopyrimidines and derivatives Halopyrimidines Primary aromatic amines Aryl chlorides N-substituted imidazoles 1,3-dioxolanes Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Acetals Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Imidazopyrimidine - Purine - Benzoyl - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - N-substituted imidazole - Primary aromatic amine - Pyrimidine - Heteroaromatic compound - Meta-dioxolane - Azole - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Azacycle - Organochloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen 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