O3-tert-butyl O1-methyl 2-[3-cyano-1-oxidanyl-5-(trifluoromethyl)indol-2-yl]propanedioate

Systemtic Name: O3-tert-butyl O1-methyl 2-[3-cyano-1-oxidanyl-5-(trifluoromethyl)indol-2-yl]propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-[3-cyano-1-hydroxy-5-(trifluoromethyl)indol-2-yl]propanedioate CAS Name: 2-[3-cyano-1-hydroxy-5-(trifluoromethyl)-2-indolyl]propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-[3-cyano-1-hydroxy-5-(trifluoromethyl)indol-2-yl]propanedioate Traditional Name: 2-[3-cyano-1-hydroxy-5-(trifluoromethyl)indol-2-yl]malonic acid O1-tert-butyl ester O3-methyl ester Formula: C18H17F3N2O5 MolecularWeight: 398.33319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C2=C(N1O)C=CC(=C2)C(F)(F)F)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C2=C(N1O)C=CC(=C2)C(F)(F)F)C#N)C(=O)OC

InChI

InChI=1S/C18H17F3N2O5/c1-17(2,3)28-16(25)13(15(24)27-4)14-11(8-22)10-7-9(18(19,20)21)5-6-12(10)23(14)26/h5-7,13,26H,1-4H3