2-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-7-yl]ethanenitrile

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-7-yl]ethanenitrile Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-7-yl]acetonitrile CAS Name: 2-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-7-yl]acetonitrile IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-7-yl]acetonitrile Traditional Name: 2-[3-(3,4-dimethoxyphenyl)anthranil-7-yl]acetonitrile Formula: C17H14N2O3 MolecularWeight: 294.30466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=C(C3=NO2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=C(C3=NO2)CC#N)OC

InChI

InChI=1S/C17H14N2O3/c1-20-14-7-6-12(10-15(14)21-2)17-13-5-3-4-11(8-9-18)16(13)19-22-17/h3-7,10H,8H2,1-2H3