Compound Identification
SMILES
CN(CC(O)=O)C(=O)C1=C(I)C(I)=C(C(=O)NCC(O)=O)C(I)=C1I
InChIKey
InChIKey=XSDOVFIAAPWZHU-UHFFFAOYSA-N
Formula
C13H10I4N2O6
Mass
797.849
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
-
Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Aryl iodides Dicarboxylic acids and derivatives Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl iodide - Aryl halide - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organohalogen compound - 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