3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-pyrrolidino-phenyl)-1,2,4-oxadiazole Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O5/c1-27-17-8-6-13(12-18(17)28-2)19-21-20(29-22-19)14-5-7-15(16(11-14)24(25)26)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3