2-(1-oxidanyl-3-phenyl-3H-2-benzofuran-1-yl)ethanenitrile

Systemtic Name: 2-(1-oxidanyl-3-phenyl-3H-2-benzofuran-1-yl)ethanenitrile Openeye Name: 2-(1-hydroxy-3-phenyl-3H-isobenzofuran-1-yl)acetonitrile CAS Name: 2-(1-hydroxy-3-phenyl-3H-isobenzofuran-1-yl)acetonitrile IUPAC Name: 2-(1-hydroxy-3-phenyl-3H-2-benzofuran-1-yl)acetonitrile Traditional Name: 2-(1-hydroxy-3-phenyl-phthalan-1-yl)acetonitrile Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3C(O2)(CC#N)O

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3C(O2)(CC#N)O

InChI

InChI=1S/C16H13NO2/c17-11-10-16(18)14-9-5-4-8-13(14)15(19-16)12-6-2-1-3-7-12/h1-9,15,18H,10H2