Compound Identification
SMILES
COC(=O)[C@H]1C[C@H]([C@H](N1)C1=CC=CC=C1[N+]([O-])=O)C(C)=O
InChIKey
InChIKey=NTNICWYEHPOQTH-DMDPSCGWSA-N
Formula
C14H16N2O5
Mass
292.291
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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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 Phenylpyrrolidines Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds Aralkylamines Beta-amino ketones Gamma-amino ketones Methyl esters Pyrroles Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - 2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Beta-aminoketone - Gamma-aminoketone - Benzenoid - Pyrrole - Pyrrolidine - Methyl ester - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - Organic zwitterion - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - 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