2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbonitrile

Systemtic Name: 2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbonitrile Openeye Name: 2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbonitrile CAS Name: 2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxin-6-carbonitrile IUPAC Name: 2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbonitrile Traditional Name: 2-methylol-3-phenyl-2,3-dihydro-1,4-benzodioxin-6-carbonitrile Formula: C16H13NO3 MolecularWeight: 267.27932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(OC3=C(O2)C=C(C=C3)C#N)CO

Isomeric SMILES

C1=CC=C(C=C1)C2C(OC3=C(O2)C=C(C=C3)C#N)CO

InChI

InChI=1S/C16H13NO3/c17-9-11-6-7-13-14(8-11)20-16(15(10-18)19-13)12-4-2-1-3-5-12/h1-8,15-16,18H,10H2