Compound Identification
SMILES
CCOC(=O)C1=C(C)N(CC(O)C2=CC=C(C=C2)[N+]([O-])=O)C2=C1C(C)=CC(O)=C2
InChIKey
InChIKey=MASRFBMAYPEWRI-UHFFFAOYSA-N
Formula
C21H22N2O6
Mass
398.415
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 Hydroxyindoles Nitrobenzenes Indoles Pyrrole carboxylic acids and derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Vinylogous amides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Aromatic alcohols Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Hydroxyindole - N-alkylindole - Nitrobenzene - Indole - Pyrrole-3-carboxylic acid or derivatives - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - C-nitro compound - Organic nitro compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic alcohol - 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