Compound Identification
SMILES
NC1=NC=NC2=C1C=CN2[C@@H]1O[C@@](COC(=O)C2=CC(Cl)=CC=C2)(N=[N+]=[N-])[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1F
InChIKey
InChIKey=JLQRVEROPUYKBS-NVNZTLJMSA-N
Formula
C25H19ClFN7O5
Mass
551.92
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
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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
3-halobenzoic acids and derivatives Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Aminopyrimidines and derivatives Chlorobenzenes Substituted pyrroles Aryl chlorides Imidolactams Oxolanes Heteroaromatic compounds Amino acids and derivatives Azo compounds Azo imides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organofluorides Organooxygen compounds Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Oxolane - Pyrrole - Azo compound - Amino acid or derivatives - Azo imide - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - 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