ethyl 3-(4-fluorophenyl)-3-[1-(5-nitropyridin-2-yl)piperidin-4-yl]propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-3-[1-(5-nitropyridin-2-yl)piperidin-4-yl]propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-3-[1-(5-nitro-2-pyridyl)-4-piperidyl]propanoate CAS Name: 3-(4-fluorophenyl)-3-[1-(5-nitro-2-pyridinyl)-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-3-[1-(5-nitropyridin-2-yl)piperidin-4-yl]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[1-(5-nitro-2-pyridyl)-4-piperidyl]propionic acid ethyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4/c1-2-29-21(26)13-19(15-3-5-17(22)6-4-15)16-9-11-24(12-10-16)20-8-7-18(14-23-20)25(27)28/h3-8,14,16,19H,2,9-13H2,1H3