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

Systemtic Name: ethyl 1-[6-[(3-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(3-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(3-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(3-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H22FN5O4 MolecularWeight: 403.407483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O4/c1-2-29-19(26)14-6-8-24(9-7-14)18-16(25(27)28)17(22-12-23-18)21-11-13-4-3-5-15(20)10-13/h3-5,10,12,14H,2,6-9,11H2,1H3,(H,21,22,23)