dimethyl 2-[3-cyano-1-oxidanyl-5-(trifluoromethyl)indol-2-yl]propanedioate

Systemtic Name: dimethyl 2-[3-cyano-1-oxidanyl-5-(trifluoromethyl)indol-2-yl]propanedioate Openeye Name: dimethyl 2-[3-cyano-1-hydroxy-5-(trifluoromethyl)indol-2-yl]propanedioate CAS Name: 2-[3-cyano-1-hydroxy-5-(trifluoromethyl)-2-indolyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H11F3N2O5 MolecularWeight: 356.25345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N2O5/c1-24-13(21)11(14(22)25-2)12-9(6-19)8-5-7(15(16,17)18)3-4-10(8)20(12)23/h3-5,11,23H,1-2H3