Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(SNCC(=O)OCC2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FECWQAFGNJYDER-UHFFFAOYSA-N
Formula
C15H13N3O6S
Mass
363.34
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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
Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organosulfenic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Organosulfenic acid amide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic 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