Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(OC(\C=C\C3=CC(Br)=CS3)=N2)C=C1

InChIKey

InChIKey=CPPVTPZCOMHQDI-DUXPYHPUSA-N

Formula

C13H7BrN2O3S

Mass

351.17

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazole - Nitroaromatic compound - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Thiophene - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

External Descriptors

Not available

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