O1-tert-butyl O4-ethyl 5-(trifluoromethyl)pyrazole-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 5-(trifluoromethyl)pyrazole-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 5-(trifluoromethyl)pyrazole-1,4-dicarboxylate CAS Name: 5-(trifluoromethyl)pyrazole-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 5-(trifluoromethyl)pyrazole-1,4-dicarboxylate Traditional Name: 5-(trifluoromethyl)pyrazole-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C12H15F3N2O4 MolecularWeight: 308.25371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)OC(C)(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)OC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C12H15F3N2O4/c1-5-20-9(18)7-6-16-17(8(7)12(13,14)15)10(19)21-11(2,3)4/h6H,5H2,1-4H3