ethyl 1-[6-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H24FN5O6 MolecularWeight: 461.443563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C4C(=CC(=C3)F)COCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C4C(=CC(=C3)F)COCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN5O6/c1-2-32-21(28)13-3-5-26(6-4-13)20-17(27(29)30)19(24-11-25-20)23-9-14-7-16(22)8-15-10-31-12-33-18(14)15/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,23,24,25)