Compound Identification
SMILES
COC(=O)C(C)N1C(=O)SC(=CC2=CC(=CC(OC)=C2O)[N+]([O-])=O)C1=O
InChIKey
InChIKey=CYAHVFSEMMNTQR-UHFFFAOYSA-N
Formula
C15H14N2O8S
Mass
382.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
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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
Alanine and derivatives Nitrophenyl ethers Methoxyphenols Nitrophenols Methoxyanilines Methoxybenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Thiazolidinediones Alkyl aryl ethers Dicarboximides Methyl esters Thiocarbamic acid derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Alanine or derivatives - Nitrophenyl ether - Nitrophenol - Methoxyphenol - Methoxyaniline - Nitrobenzene - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Phenol - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiazolidine - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thiocarbamic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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