Compound Identification
SMILES
BrCCC(=O)COC(=O)C1=CC(=NN1)C(=O)OCC(=O)CCBr
InChIKey
InChIKey=OGEFLJRXYBBMNZ-UHFFFAOYSA-N
Formula
C13H14Br2N2O6
Mass
454.071
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Monosaccharides Heteroaromatic compounds Ketones Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Monosaccharide - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Not available