Compound Identification
SMILES
CC1S\C(=N\NC2=C3C=C(C=CC3=NC2=O)[N+]([O-])=O)N(C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=IEQCCUAYLPZHBU-RELWKKBWSA-N
Formula
C18H12BrN5O4S
Mass
474.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Indoles and derivatives Nitroaromatic compounds Bromobenzenes Aryl bromides Thiazolidines N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrazones Organic oxoazanium compounds Hydrocarbon derivatives Organobromides Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Indole or derivatives - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Organic nitro compound - C-nitro compound - N-acylimine - Azacycle - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic 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