[6-(nitrooxymethyl)pyridin-2-yl]methyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate

Systemtic Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate Openeye Name: [6-(nitrooxymethyl)-2-pyridyl]methyl 2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid [6-(nitrooxymethyl)-2-pyridinyl]methyl ester IUPAC Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl 2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propionic acid [6-(nitrooxymethyl)-2-pyridyl]methyl ester Formula: C22H19FN2O5 MolecularWeight: 410.395063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCC3=NC(=CC=C3)CO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCC3=NC(=CC=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C22H19FN2O5/c1-15(17-10-11-20(21(23)12-17)16-6-3-2-4-7-16)22(26)29-13-18-8-5-9-19(24-18)14-30-25(27)28/h2-12,15H,13-14H2,1H3