Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N)N(N=C1)C(=O)C1=C(Br)C=CC(OC)=C1

InChIKey

InChIKey=DTKQJXWLIUBVTC-UHFFFAOYSA-N

Formula

C13H12BrN3O4

Mass

354.16

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoyl derivatives

Intermediate Tree Nodes

Benzoylpyrazoles

Direct Parent

N-benzoylpyrazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-benzoylpyrazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Pyrazole-4-carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Vinylogous amide - Heteroaromatic compound - Pyrazole - Vinylogous halide - Azole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group.

External Descriptors

Not available

Previous Back Next