Compound Identification
SMILES
F[C@@H]1[C@@H](O[C@@](COC(=O)C2=CC(Cl)=CC=C2)(N=[N+]=[N-])[C@H]1OC(=O)C1=CC=CC=C1)N1C=CC2=C(N=[N+]=[N-])N=CN=C12
InChIKey
InChIKey=WKYNSEXPTMGHFP-NVNZTLJMSA-N
Formula
C25H17ClFN9O5
Mass
577.92
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 Chlorobenzenes Substituted pyrroles Pyrimidines and pyrimidine derivatives Aryl chlorides Oxolanes Heteroaromatic compounds Azo compounds Azo imides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organofluorides Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Substituted pyrrole - Oxolane - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azo imide - Azo compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organic salt - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - 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