2-[(E)-3-(5-oxidanyl-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-(5-oxidanyl-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-(5-hydroxy-2,3-dihydrobenzofuran-6-yl)prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-(5-hydroxy-2,3-dihydrobenzofuran-6-yl)prop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-(5-hydroxycoumaran-6-yl)prop-1-enyl]benzonitrile Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=C(C=C21)O)CC=CC3=CC=CC=C3C#N

Isomeric SMILES

C1COC2=CC(=C(C=C21)O)C/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C18H15NO2/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,20H,7-9H2/b6-3+