Compound Identification
SMILES
COC(=O)CNC(=O)C(=O)CC1=CC=CC(=N1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=BNSWZPWGKSNCEA-UHFFFAOYSA-N
Formula
C17H15N3O6
Mass
357.322
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
Alpha amino acid esters Phenylpyridines Nitrobenzenes Nitroaromatic compounds Fatty amides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 2-phenylpyridine - Nitrobenzene - Nitroaromatic compound - Pyridine - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Carboxamide group - Ketone - Organic nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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