Compound Identification
SMILES
OC(=O)C(F)(F)F.NN(CC(=O)N1CCCC1C#N)CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RSHBTNDYAQCQJZ-UHFFFAOYSA-N
Formula
C16H18F3N5O5
Mass
417.345
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Nitrobenzenes N-acylpyrrolidines Nitroaromatic compounds Tertiary carboxylic acid amides Alpha-halocarboxylic acids Alkylhydrazines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Nitriles Organic oxoazanium compounds Carbonyl compounds Organofluorides Alkyl fluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - N-acylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Alpha-halocarboxylic acid - Pyrrolidine - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - C-nitro compound - Organic nitro compound - Carboxamide group - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Nitrile - Monocarboxylic acid or derivatives - Organic oxoazanium - Alkylhydrazine - Carbonitrile - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrazine derivative - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available