methyl 1-[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H20FN5O4 MolecularWeight: 389.380903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN5O4/c1-28-18(25)13-6-8-23(9-7-13)17-15(24(26)27)16(21-11-22-17)20-10-12-2-4-14(19)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,20,21,22)