Compound Identification
SMILES
COC(=O)C(=O)C=C(O)C1=C(C)NC2=CC=CC=C12
InChIKey
InChIKey=NECGKKJUYJFRBF-UHFFFAOYSA-N
Formula
C14H13NO4
Mass
259.261
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Fatty acid esters Substituted pyrroles Alpha-keto acids and derivatives Benzenoids Vinylogous acids Acryloyl compounds Methyl esters Heteroaromatic compounds Enones Ketones Monocarboxylic acids and derivatives Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Fatty acid ester - Alpha-keto acid - Keto acid - Substituted pyrrole - Benzenoid - Fatty acyl - Acryloyl-group - Enone - Pyrrole - Heteroaromatic compound - Methyl ester - Alpha,beta-unsaturated ketone - Vinylogous acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Enol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available