Compound Identification
SMILES
COC(=O)CC1CCC(N1C)C(=O)OC.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=ORFGLOULYXFZBZ-UHFFFAOYSA-N
Formula
C16H20N4O11
Mass
444.353
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
-
Level 6
Alpha amino acids and derivatives
-
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
Proline and derivatives Nitrophenols Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds N-alkylpyrrolidines Dicarboxylic acids and derivatives Methyl esters Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Proline or derivatives - Alpha-amino acid ester - Nitrophenol - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenol - Benzenoid - N-alkylpyrrolidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Pyrrolidine - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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