Structure Information
Structure

Compound Identification

SMILES

C[C@@]1(O)[C@H](O)[C@@H](O)C2=C([C@H]1O)C([N+]#N)=C1C2=C(O)C2=CC=CC(=O)C2=C1O

InChIKey

InChIKey=PBAYJNKURMMTNH-MLHJIOFPSA-O

Formula

C18H15N2O7

Mass

371.324

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones

Direct Parent

Aryl ketones

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Aryl ketone - Cyclitol or derivatives - Benzenoid - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Polyol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.

External Descriptors

Not available

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