(3S,4R)-4-ethynyl-3-(2-fluoranylpropan-2-yl)-6-nitro-3,4-dihydro-2H-chromene

Systemtic Name: (3S,4R)-4-ethynyl-3-(2-fluoranylpropan-2-yl)-6-nitro-3,4-dihydro-2H-chromene Openeye Name: (3S,4R)-4-ethynyl-3-(1-fluoro-1-methyl-ethyl)-6-nitro-chromane CAS Name: (3S,4R)-4-ethynyl-3-(2-fluoropropan-2-yl)-6-nitro-3,4-dihydro-2H-1-benzopyran IUPAC Name: (3S,4R)-4-ethynyl-3-(2-fluoropropan-2-yl)-6-nitro-3,4-dihydro-2H-chromene Traditional Name: (3S,4R)-4-ethynyl-3-(1-fluoro-1-methyl-ethyl)-6-nitro-chroman Formula: C14H14FNO3 MolecularWeight: 263.264263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1COC2=C(C1C#C)C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CC(C)([C@@H]1COC2=C([C@H]1C#C)C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C14H14FNO3/c1-4-10-11-7-9(16(17)18)5-6-13(11)19-8-12(10)14(2,3)15/h1,5-7,10,12H,8H2,2-3H3/t10-,12-/m1/s1