Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=MMPWFGWAKNXPLJ-DXBBTUNJSA-O

Formula

C22H19N2O9

Mass

455.398

Export to:

JSON SDF CSV

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 - Dicarboxylic acid or derivatives - Benzenoid - Tertiary alcohol - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Hydrocarbon derivative - 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

Previous Back Next