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

Systemtic Name: 5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[3-nitro-4-(1-pyrrolidinyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3-nitro-4-pyrrolidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3-nitro-4-pyrrolidino-phenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-28-17-11-14(12-18(29-2)19(17)30-3)20-22-21(31-23-20)13-6-7-15(16(10-13)25(26)27)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9H2,1-3H3