Compound Identification
SMILES
[Br-].CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NCCO
InChIKey
InChIKey=CBQHPQSLJHFWSK-UHFFFAOYSA-N
Formula
C12H17BrN2O4
Mass
333.182
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Nicotinamides N-acylethanolamines Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Nicotinamide - Pyridine carboxylic acid or derivatives - N-acylethanolamine - Pyridine - Pyridinium - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Alkanolamine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organic bromide salt - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available