Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12CCCN1[C@H](O[C@@H]2C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=PUAHHTLIHUJGJN-QWFCFKBJSA-N

Formula

C20H19N3O7

Mass

413.386

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Methyl ester - Pyrrolidine - Oxazolidine - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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

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