Structure Information
Structure

Compound Identification

SMILES

COC1=C(CC2=C(CN(CCC(C)C)C(=O)C3=C(Cl)C(OCCN4CCCCC4)=C(OC)C=C3)N=C3C=CC=CN23)C=C(Br)C=C1

InChIKey

InChIKey=WSPCOYRZTNPHJU-UHFFFAOYSA-N

Formula

C36H44BrClN4O4

Mass

712.13

Export to:

JSON SDF CSV

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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Imidazopyridine - Imidazo[1,2-a]pyridine - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Bromobenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Piperidine - N-substituted imidazole - Heteroaromatic compound - Vinylogous halide - Azole - Tertiary carboxylic acid amide - Imidazole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

Previous Back Next