[1-(2-butanoyl-4-fluoranyl-phenoxy)-3-(tert-butylamino)propan-2-yl] nitrate

Systemtic Name: [1-(2-butanoyl-4-fluoranyl-phenoxy)-3-(tert-butylamino)propan-2-yl] nitrate Openeye Name: [1-[(2-butanoyl-4-fluoro-phenoxy)methyl]-2-(tert-butylamino)ethyl] nitrate CAS Name: nitric acid [1-(tert-butylamino)-3-[4-fluoro-2-(1-oxobutyl)phenoxy]propan-2-yl] ester IUPAC Name: [1-(2-butanoyl-4-fluorophenoxy)-3-(tert-butylamino)propan-2-yl] nitrate Traditional Name: nitric acid [1-[(tert-butylamino)methyl]-2-(2-butyryl-4-fluoro-phenoxy)ethyl] ester Formula: C17H25FN2O5 MolecularWeight: 356.389203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(=C1)F)OCC(CNC(C)(C)C)O[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1=C(C=CC(=C1)F)OCC(CNC(C)(C)C)O[N+](=O)[O-]

InChI

InChI=1S/C17H25FN2O5/c1-5-6-15(21)14-9-12(18)7-8-16(14)24-11-13(25-20(22)23)10-19-17(2,3)4/h7-9,13,19H,5-6,10-11H2,1-4H3