Compound Identification
SMILES
CCOC(=O)C(CC(=O)C1=C(C=CC=C1Cl)[N+]([O-])=O)(NC(C)=O)C(=O)OCC
InChIKey
InChIKey=HPSXWIVKRZSWDY-UHFFFAOYSA-N
Formula
C17H19ClN2O8
Mass
414.8
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
-
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
Alkyl-phenylketones Butyrophenones Nitrobenzenes Gamma-keto acids and derivatives Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Fatty acid esters Dicarboxylic acids and derivatives Aryl chlorides Vinylogous halides Acetamides Secondary carboxylic acid amides Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Phenylketone - Nitroaromatic compound - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Benzoyl - Fatty acid ester - Chlorobenzene - Halobenzene - Dicarboxylic acid or derivatives - Keto acid - Benzenoid - Aryl chloride - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Acetamide - Vinylogous halide - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Ketone - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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