Compound Identification
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](C(O)C2=CC=CC=C2C([O-])=O)[C@](O)(C2=CC=CC=C2C([O-])=O)C1(F)F
InChIKey
InChIKey=FLEGKVSBDHUCTC-RTIVQEIQSA-L
Formula
C23H17F2N3O8
Mass
501.4
Taxonomic Classification
Taxonomy Tree
-
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 acids
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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 acids
Alternative Parents
Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidones Hydropyrimidines Imidolactams Oxolanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Fluorohydrins Amino acids Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Primary amines Hydrocarbon derivatives Alkyl fluorides Aromatic alcohols Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Aminopyrimidine - Pyrimidone - Imidolactam - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Oxolane - Tertiary alcohol - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Fluorohydrin - Halohydrin - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Primary amine - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available