Structure Information
Structure

Compound Identification

SMILES

CNC1=C(Br)C=C2OC(C[C@H]3OC4(CC[C@@H]3C)OC([C@H](C)C(=O)C3=CC=CN3)[C@H](C)C[C@@H]4C)=NC2=C1C(O)=O

InChIKey

InChIKey=LDXQFZZGVTWFCF-GGVREKQNSA-N

Formula

C29H36BrN3O6

Mass

602.526

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

Halobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoxazole - 2-bromoaniline - Aryl ketone - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Ketal - Aryl bromide - Aryl halide - Substituted pyrrole - Oxane - Pyrrole - Azole - Heteroaromatic compound - Vinylogous amide - Oxazole - Ketone - Amino acid - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.

External Descriptors

Not available

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