Compound Identification
SMILES
CCOC(=O)CNC1=C(Br)C=C(C=C1Br)C(F)(F)C(O)(F)C(F)(F)F
InChIKey
InChIKey=HXNRNAWXHCIPSG-UHFFFAOYSA-N
Formula
C13H11Br2F6NO3
Mass
503.033
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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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
Phenylalkylamines 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Fluorohydrins Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alcohols and polyols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylalkylamine - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Fluorohydrin - Halohydrin - Secondary amine - Monocarboxylic acid or derivatives - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organohalogen compound - Aromatic homomonocyclic 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