Compound Identification
SMILES
CCOC(=O)C1=C(COC2=CC=C(C=C2)[N+]([O-])=O)N(C)C2=CC(Br)=C(O)C(CN(C)C)=C12
InChIKey
InChIKey=PHPRPVUIUUGHOL-UHFFFAOYSA-N
Formula
C22H24BrN3O6
Mass
506.353
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
Nitrophenyl ethers Hydroxyindoles N-alkylindoles Indoles Pyrrole carboxylic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds O-bromophenols Alkyl aryl ethers Aralkylamines Aryl bromides N-methylpyrroles Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Trialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Nitrophenyl ether - Hydroxyindole - N-alkylindole - Indole - Nitrobenzene - 2-halophenol - Phenoxy compound - Nitroaromatic compound - 2-bromophenol - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Aralkylamine - Phenol - Alkyl aryl ether - N-methylpyrrole - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Vinylogous amide - Tertiary amine - C-nitro compound - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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