2-[2-(phenylmethyl)-1,3-benzoxazol-6-yl]ethanenitrile

Systemtic Name: 2-[2-(phenylmethyl)-1,3-benzoxazol-6-yl]ethanenitrile Openeye Name: 2-(2-benzyl-1,3-benzoxazol-6-yl)acetonitrile CAS Name: 2-[2-(phenylmethyl)-1,3-benzoxazol-6-yl]acetonitrile IUPAC Name: 2-(2-benzyl-1,3-benzoxazol-6-yl)acetonitrile Traditional Name: 2-(2-benzyl-1,3-benzoxazol-6-yl)acetonitrile Formula: C16H12N2O MolecularWeight: 248.27928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)CC#N

InChI

InChI=1S/C16H12N2O/c17-9-8-13-6-7-14-15(10-13)19-16(18-14)11-12-4-2-1-3-5-12/h1-7,10H,8,11H2