(1Z)-3,4,5-trimethoxy-N-(3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)benzenecarboximidate

Systemtic Name: (1Z)-3,4,5-trimethoxy-N-(3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)benzenecarboximidate Openeye Name: (1Z)-3,4,5-trimethoxy-N-(3-phenethyloxadiazol-3-ium-5-yl)benzenecarboximidate CAS Name: (1Z)-3,4,5-trimethoxy-N-(3-phenethyl-5-oxadiazol-3-iumyl)benzenecarboximidate IUPAC Name: (1Z)-3,4,5-trimethoxy-N-(3-phenethyloxadiazol-3-ium-5-yl)benzenecarboximidate Traditional Name: (1Z)-3,4,5-trimethoxy-N-(3-phenethyloxadiazol-3-ium-5-yl)benzenecarboximidate Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=NC2=C[N+](=NO2)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C(=N/C2=C[N+](=NO2)CCC3=CC=CC=C3)/[O-]

InChI

InChI=1S/C20H21N3O5/c1-25-16-11-15(12-17(26-2)19(16)27-3)20(24)21-18-13-23(22-28-18)10-9-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3