Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC(C3=CC=CC=C3O1)C(C#N)=C(N)N2

InChIKey

InChIKey=MFJLVQPMXNDGLJ-WCRCJTMVSA-N

Formula

C13H13N3O

Mass

227.267

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

1-benzopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzopyran - Tetrahydropyridine - Benzenoid - Ketene acetal or derivatives - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

External Descriptors

Not available

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