Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)NC1CCSC1=O)[N+]([O-])=O
InChIKey
InChIKey=XCHMUCGTSIINNI-UHFFFAOYSA-N
Formula
C12H12N2O4S
Mass
280.3
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
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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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
m-Toluamides Benzamides Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Thiolanes Carbothioic S-lactones Thiolactones Thioesters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - M-toluamide - Nitroaromatic compound - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Carbothioic s-lactone - Thiolane - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Thiolactone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available