Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(O[13C](=O)[13C](=O)[15NH]CCC2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=IKNYRUCHVZZFLI-UMWURPMJSA-N

Formula

C18H18N2O5

Mass

345.329

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

External Descriptors

Not available

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