Structure Information
Structure

Compound Identification

SMILES

BrC1=CC2=C(OC(=NC3=CC=C(C=C3)C#N)C(=C2)C2=NC3=CC=CC=C3N2)C=C1

InChIKey

InChIKey=KZKNZIOVDRBQEK-UHFFFAOYSA-N

Formula

C23H13BrN4O

Mass

441.288

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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

Benzimidazoles Benzonitriles Aryl bromides Imidazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzopyran - Benzimidazole - Benzonitrile - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - 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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