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

Systemtic Name: ethyl 1-[5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[3-(trifluoromethyl)phenoxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H19F3N4O5 MolecularWeight: 440.37317

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N4O5/c1-2-30-18(27)12-6-8-25(9-7-12)16-15(26(28)29)17(24-11-23-16)31-14-5-3-4-13(10-14)19(20,21)22/h3-5,10-12H,2,6-9H2,1H3