ethyl 1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methoxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[3-(trifluoromethyl)benzyl]oxy-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H21F3N4O5 MolecularWeight: 454.39975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N4O5/c1-2-31-19(28)14-6-8-26(9-7-14)17-16(27(29)30)18(25-12-24-17)32-11-13-4-3-5-15(10-13)20(21,22)23/h3-5,10,12,14H,2,6-9,11H2,1H3