Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@H](C2=CN=CC=C2)C2=C(O1)C1=CC=CC=C1C(Cl)=C2

InChIKey

InChIKey=YXWBTLFGIQSVKA-QGZVFWFLSA-N

Formula

C19H12ClN3O

Mass

333.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Naphthopyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Naphthopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Naphthopyran - Chloronaphthalene - Benzopyran - Naphthalene - 1-benzopyran - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Ketene acetal or derivatives - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

External Descriptors

Not available

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