Compound Identification
SMILES
COC(=O)C(=[N+]=O)[C@H]([C@@H]([O-])COS(C)(=O)=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MOKNRGAASWEITH-QWRGUYRKSA-N
Formula
C13H14BrNO7S
Mass
408.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Alpha-imino acid and derivatives
- Level 5 Alpha-imino acid esters
-
Subclass
Alpha-imino acid and derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Alpha-imino acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-imino acid esters
Alternative Parents
Bromobenzenes Fatty acid esters Sulfonic acid esters Organosulfonic acid esters Aryl bromides Sulfonyls Methanesulfonates Methyl esters Allyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Alkoxides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-imino acid ester - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Fatty acyl - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxylic acid ester - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alkoxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-imino acid esters. These are ester derivatives of alpha-imino acids. They have the general structure RN=CC(=O)OR', where R = H, organyl group and R' = organyl group.
External Descriptors
Not available