Compound Identification
SMILES
OC(=O)C(F)(F)F.CN1C2=C(C(NC3=CC=NC=C3)=C1C(O)=O)C(F)=CC=C2
InChIKey
InChIKey=CNNZZZDURXSKEX-UHFFFAOYSA-N
Formula
C17H13F4N3O4
Mass
399.302
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
N-alkylindoles Indoles Pyrrole 2-carboxylic acids Aminopyridines and derivatives Primary aromatic amines N-methylpyrroles Aryl fluorides Benzenoids Vinylogous amides Alpha-halocarboxylic acids Heteroaromatic compounds Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Indolecarboxylic acid derivative - N-alkylindole - Indole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aminopyridine - Aryl fluoride - Aryl halide - N-methylpyrrole - Primary aromatic amine - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Alpha-halocarboxylic acid or derivatives - Pyrrole - Alpha-halocarboxylic acid - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available