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

Systemtic Name: ethyl 1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[3-(trifluoromethyl)anilino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H20F3N5O4 MolecularWeight: 439.38841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N5O4/c1-2-31-18(28)12-6-8-26(9-7-12)17-15(27(29)30)16(23-11-24-17)25-14-5-3-4-13(10-14)19(20,21)22/h3-5,10-12H,2,6-9H2,1H3,(H,23,24,25)