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

Systemtic Name: (3S,4S)-3-(2-fluoranylpropan-2-yl)-6-nitro-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene Openeye Name: (3S,4S)-3-(1-fluoro-1-methyl-ethyl)-6-nitro-4-(2-phenylethynyl)chromane CAS Name: (3S,4S)-3-(2-fluoropropan-2-yl)-6-nitro-4-(2-phenylethynyl)-3,4-dihydro-2H-1-benzopyran IUPAC Name: (3S,4S)-3-(2-fluoropropan-2-yl)-6-nitro-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene Traditional Name: (3S,4S)-3-(1-fluoro-1-methyl-ethyl)-6-nitro-4-(2-phenylethynyl)chroman Formula: C20H18FNO3 MolecularWeight: 339.360223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1COC2=C(C1C#CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CC(C)([C@@H]1COC2=C([C@@H]1C#CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C20H18FNO3/c1-20(2,21)18-13-25-19-11-9-15(22(23)24)12-17(19)16(18)10-8-14-6-4-3-5-7-14/h3-7,9,11-12,16,18H,13H2,1-2H3/t16-,18+/m0/s1