Compound Identification
SMILES
CC1(CC(NC2=CC(Cl)=CC(Cl)=C2)C(=O)O1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=SXZKHBRNAKQWLW-UHFFFAOYSA-N
Formula
C17H14BrCl2NO2
Mass
415.11
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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 Aniline and substituted anilines Dichlorobenzenes Secondary alkylarylamines Bromobenzenes Aryl bromides Aryl chlorides Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - 1,3-dichlorobenzene - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - Chlorobenzene - Bromobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Aryl bromide - Aryl chloride - Aryl halide - Oxolane - Lactone - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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