Compound Identification
SMILES
OCC(O)CNC(=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(N2CCC(O)C2=O)=C1I
InChIKey
InChIKey=VDRCDLGXGLYUPD-UHFFFAOYSA-N
Formula
C18H22I3N3O8
Mass
789.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Phenylpyrrolidines 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Iodobenzenes Pyrrolidine-2-ones Aryl iodides Vinylogous halides Tertiary carboxylic acid amides Pyrroles Secondary carboxylic acid amides Secondary alcohols Lactams Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Iodobenzene - Halobenzene - 2-pyrrolidone - Pyrrolidone - Aryl iodide - Aryl halide - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available