Compound Identification
SMILES
[Br-].C[N+](C)(CC(O)=O)CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=WPENPZQNBGSSJJ-UHFFFAOYSA-N
Formula
C11H15BrN2O4
Mass
319.155
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
N-acyl-alpha amino acids and derivatives
-
Level 8
N-acyl-alpha amino acids
- Level 9 N-benzylalanines
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Level 8
N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-benzylalanines
Alternative Parents
Alpha amino acids Nitrobenzenes Phenylmethylamines Benzylamines Nitroaromatic compounds Aralkylamines Tetraalkylammonium salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic bromide salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-benzylalanine - Alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic bromide salt - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.
External Descriptors
Not available