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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H22FN5O4/c1-2-29-19(26)14-4-3-9-24(11-14)18-16(25(27)28)17(22-12-23-18)21-10-13-5-7-15(20)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,21,22,23)