Compound Identification
SMILES
CCOC(=O)CNC1=C(C=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1)C(C)=O
InChIKey
InChIKey=FMWKUHFYRAXRRC-UHFFFAOYSA-N
Formula
C18H18N2O5S
Mass
374.41
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
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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
Alkyl-phenylketones Diarylthioethers Acetophenones Nitrobenzenes Thiophenol ethers Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Vinylogous amides Carboxylic acid esters Monocarboxylic acids and derivatives Sulfenyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid ester - Diarylthioether - Acetophenone - Nitrobenzene - Phenylketone - Aryl ketone - Benzoyl - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Aryl thioether - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Thioether - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Organosulfur 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