Compound Identification
SMILES
COC1=CC=CC=C1N[N+](=NCC(O)=O)C1=C(C=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=IAVGAZKYKQGOKV-UHFFFAOYSA-O
Formula
C16H15BrN3O5
Mass
409.215
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
- Level 5 Amino acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
3-halobenzoic acids Halobenzoic acids Methoxyanilines Benzoic acids Phenylhydrazines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Methoxyaniline - Methoxybenzene - Anisole - Phenoxy compound - Phenylhydrazine - Phenol ether - Benzoyl - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available