Compound Identification
SMILES
CC1(C)[C@H](N2C(C(Br)(Br)C2=O)S1(=O)=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KLUAZXFCICCKIR-VUUHIHSGSA-N
Formula
C15H14Br2N2O7S
Mass
526.15
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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
Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Penams Thiazolidines Tertiary carboxylic acid amides Sulfones Azetidines Tertiary amines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Alkyl bromides Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Penam - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Beta-lactam - Sulfone - Thiazolidine - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Tertiary amine - Azetidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Organic nitrogen compound - Organic salt - Alkyl halide - Carbonyl group - Alkyl bromide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic 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