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

Systemtic Name: 1-(4-nitrophenyl)-3-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]urea Openeye Name: 1-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]-3-(4-nitrophenyl)urea CAS Name: 1-(4-nitrophenyl)-3-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea Traditional Name: 1-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]-3-(4-nitrophenyl)urea Formula: C18H18N5O4+ MolecularWeight: 368.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)[N+](=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)/p+1