Compound Identification
SMILES
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)OC1CCOC1=O
InChIKey
InChIKey=HLACLZGLEPGQAU-UHFFFAOYSA-N
Formula
C16H15ClN2O4
Mass
334.76
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
Aryl chlorides Benzene and substituted derivatives Dicarboxylic acids and derivatives Gamma butyrolactones Vinylogous halides Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Tetrahydrofuran - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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