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

Systemtic Name: N-(4-nitrophenyl)-N'-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]carbamimidate Openeye Name: N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]-N-(4-nitrophenyl)carbamimidate CAS Name: N-(4-nitrophenyl)-N'-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]carbamimidate IUPAC Name: N-(4-nitrophenyl)-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate Traditional Name: N'-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]-N-(4-nitrophenyl)carbamimidate Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=C(C=C3)[N+](=O)[O-])\[O-]

InChI

InChI=1S/C18H17N5O4/c1-13(11-14-5-3-2-4-6-14)22-12-17(27-21-22)20-18(24)19-15-7-9-16(10-8-15)23(25)26/h2-10,12-13H,11H2,1H3,(H-,19,20,21,24)