Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1C1=CC=CO1

InChIKey

InChIKey=WSQKMSDKNFZDNH-GFCCVEGCSA-N

Formula

C13H12N2O3

Mass

244.25

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrans

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyran - Furan - Vinylogous ester - Heteroaromatic compound - Ketene acetal or derivatives - Ketone - Oxacycle - Nitrile - Carbonitrile - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.

External Descriptors

Not available

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