2-[3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazol-7-yl]ethanenitrile

Systemtic Name: 2-[3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazol-7-yl]ethanenitrile Openeye Name: 2-[3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazol-7-yl]acetonitrile CAS Name: 2-[3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazol-7-yl]acetonitrile IUPAC Name: 2-[3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazol-7-yl]acetonitrile Traditional Name: 2-[3-(3,4,5-trimethoxyphenyl)anthranil-7-yl]acetonitrile Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3C=CC=C(C3=NO2)CC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3C=CC=C(C3=NO2)CC#N

InChI

InChI=1S/C18H16N2O4/c1-21-14-9-12(10-15(22-2)18(14)23-3)17-13-6-4-5-11(7-8-19)16(13)20-24-17/h4-6,9-10H,7H2,1-3H3