Structure Information
Structure

Compound Identification

SMILES

CC(=C)C(=O)NCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=CIOUJHCVWKGWSD-UHFFFAOYSA-N

Formula

C13H14N2O5

Mass

278.264

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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