Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(Br)=C2)=NC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=MUFFDFFANDXVDF-UHFFFAOYSA-N
Formula
C17H12BrN3O5S
Mass
450.26
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 Alpha amino acid esters
-
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
Direct Parent
Alpha amino acid esters
Alternative Parents
Benzoic acids and derivatives Benzothiazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aryl bromides Thiazoles Heteroaromatic compounds Methyl esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 1,3-benzothiazole - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Methyl ester - Thiazole - Heteroaromatic compound - Isothiourea - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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