Compound Identification
SMILES
CC(C)(C)OC(=O)N1N=C(OS(=O)(=O)C(F)(F)F)C2=C1C=CC(=C2)N1[C@H](CC2=CC=CC=C2)[C@@H]2OC(C)(C)O[C@H]2[C@@H](CC2=CC=CC=C2)N(CC2=CC(=CC=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=KMCCSQYPKVPVEX-NWJWHWDBSA-N
Formula
C42H42F3N5O10S
Mass
865.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Benzopyrazoles
- Subclass Indazoles
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Class
Benzopyrazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Nitrobenzenes Trifluoromethanesulfonates Pyrazole carboxylic acids and derivatives Nitroaromatic compounds 1,3-diazepanes Ketals Sulfonic acid esters Organosulfonic acid esters Sulfonyls 1,3-dioxolanes Heteroaromatic compounds Methanesulfonates Ureas Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic salts Alkyl fluorides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Nitrobenzene - Nitroaromatic compound - Trifluoromethanesulfonate - Pyrazole-1-carboxylic acid or derivatives - 1,3-diazepane - Ketal - Diazepane - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Meta-dioxolane - Azole - Methanesulfonate - Pyrazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - Urea - Trihalomethane - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Acetal - Organic oxoazanium - Organic oxygen compound - Organic salt - Organofluoride - Organohalogen compound - Halomethane - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic cation - 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