Compound Identification
SMILES
CCOC(=O)C1=C(CNC2=CC=C(C=C2)[N+]([O-])=O)N(C)C2=CC(Br)=C(OC(C)=O)C=C12
InChIKey
InChIKey=BYGOSCXXZVBLLO-UHFFFAOYSA-N
Formula
C21H20BrN3O6
Mass
490.31
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 Nitrobenzenes Aniline and substituted anilines Pyrrole carboxylic acids and derivatives Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Aryl bromides Dicarboxylic acids and derivatives N-methylpyrroles Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organobromides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - N-alkylindole - Indole - Nitrobenzene - Nitroaromatic compound - Pyrrole-3-carboxylic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic zwitterion - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen 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