Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@H](C=C)[C@@H](NC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XPFIZXWNCIGGRU-HOTGVXAUSA-N

Formula

C17H15N3O6

Mass

357.322

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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 - 3-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Amino acid - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - 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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