Structure Information
Structure

Compound Identification

SMILES

CNC1=C(C(O)=O)C2=C(OC(CC3OC4(CCC3C)OC(C(C)C(=O)C3=CC(Br)=CN3)C(C)CC4C)=N2)C=C1

InChIKey

InChIKey=OVBOOJZKYTWZLW-UHFFFAOYSA-N

Formula

C29H36BrN3O6

Mass

602.526

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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 - Aryl ketone - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Ketal - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Oxane - Pyrrole - Oxazole - Azole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Ketone - Amino acid - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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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