Compound Identification
SMILES
CS(=O)(=O)SCC(NC(=O)C1=C(F)C(F)=C(N=[N+]=[N-])C(F)=C1F)C(O)=O
InChIKey
InChIKey=JFNQPHWGTXGNNV-UHFFFAOYSA-N
Formula
C11H8F4N4O5S2
Mass
416.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
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Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
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
Benzamides - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Cysteine and derivatives 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Phenylazides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Sulfonyls Secondary carboxylic acid amides Azo compounds Azo imides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Carbonyl compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Cysteine or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylazide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Sulfonyl - Azo imide - Secondary carboxylic acid amide - Azo compound - Carboxamide group - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organofluoride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available