N-(4-ethoxycarbonylphenyl)-N'-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate

Systemtic Name: N-(4-ethoxycarbonylphenyl)-N'-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate Openeye Name: N-(4-ethoxycarbonylphenyl)-N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamimidate CAS Name: N-(4-ethoxycarbonylphenyl)-N'-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]carbamimidate IUPAC Name: N-(4-ethoxycarbonylphenyl)-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate Traditional Name: N-(4-carbethoxyphenyl)-N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]carbamimidate Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC2=C[N+](=NO2)C(C)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N/C(=N/C2=C[N+](=NO2)C(C)CC3=CC=CC=C3)/[O-]

InChI

InChI=1S/C21H22N4O4/c1-3-28-20(26)17-9-11-18(12-10-17)22-21(27)23-19-14-25(24-29-19)15(2)13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H-,22,23,24,26,27)