Compound Identification
SMILES
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CN(C)CCCOC1=NN(CC2=CC=C(Cl)C=C2)C2=C1C=CC(Cl)=C2
InChIKey
InChIKey=WSAPITHWHYPWOK-UHFFFAOYSA-K
Formula
C25H26Cl2N3O8
Mass
567.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrazoles
- Subclass Indazoles
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Class
Benzopyrazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Tricarboxylic acids and derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary alcohols Pyrazoles Heteroaromatic compounds Trialkylamines Carboxylic acid salts Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Benzopyrazole - Indazole - Tricarboxylic acid or derivatives - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Pyrazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organochloride - Carbonyl group - Alcohol - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organooxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available