methyl 2-(2-cyclohexyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 2-(2-cyclohexyl-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-(1-cyclohexyl-5-keto-3-methyl-3-pyrazolin-4-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C14H19F3N2O4 MolecularWeight: 336.30687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2CCCCC2)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2CCCCC2)C(C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C14H19F3N2O4/c1-8-10(13(22,12(21)23-2)14(15,16)17)11(20)19(18-8)9-6-4-3-5-7-9/h9,18,22H,3-7H2,1-2H3