Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C(CCO[N+]([O-])=O)C2=C1NC(=C2)C(=O)OC(C)C
InChIKey
InChIKey=VYRPXUBLXHTEIU-UHFFFAOYSA-N
Formula
C22H24N2O7
Mass
428.441
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
Tyrosols and derivatives Indoles Pyrrole carboxylic acids and derivatives Anisoles Alkyl aryl ethers Substituted pyrroles Benzene and substituted derivatives Alkyl nitrates Heteroaromatic compounds Carboxylic acid esters Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Tyrosol derivative - Indole - Anisole - Phenol ether - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Organic nitrate - Pyrrole - Alkyl nitrate - Organic nitro compound - Carboxylic acid ester - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - 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