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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=NC2=C[N+](=NO2)CCC3=CC=CC=C3)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C(=N/C2=C[N+](=NO2)CCC3=CC=CC=C3)/[O-])OC)OC

InChI

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