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

Systemtic Name: methyl 1-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[4-(trifluoromethyl)anilino]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H18F3N5O4 MolecularWeight: 425.36183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N5O4/c1-30-17(27)11-6-8-25(9-7-11)16-14(26(28)29)15(22-10-23-16)24-13-4-2-12(3-5-13)18(19,20)21/h2-5,10-11H,6-9H2,1H3,(H,22,23,24)