3-butyl-3-(4-fluorophenyl)-6-isocyano-1H-2-benzofuran

Systemtic Name: 3-butyl-3-(4-fluorophenyl)-6-isocyano-1H-2-benzofuran Openeye Name: 3-butyl-3-(4-fluorophenyl)-6-isocyano-1H-isobenzofuran CAS Name: 3-butyl-3-(4-fluorophenyl)-6-isocyano-1H-isobenzofuran IUPAC Name: 3-butyl-3-(4-fluorophenyl)-6-isocyano-1H-2-benzofuran Traditional Name: 1-butyl-1-(4-fluorophenyl)-5-isocyano-phthalan Formula: C19H18FNO MolecularWeight: 295.350723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CO1)C=C(C=C2)[N+]#[C-])C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1(C2=C(CO1)C=C(C=C2)[N+]#[C-])C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FNO/c1-3-4-11-19(15-5-7-16(20)8-6-15)18-10-9-17(21-2)12-14(18)13-22-19/h5-10,12H,3-4,11,13H2,1H3