[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propoxybenzoate

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propoxybenzoate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-3-12-27-17-10-6-15(7-11-17)20(24)28-13(2)18-21-22-19(29-18)14-4-8-16(9-5-14)23(25)26/h4-11,13H,3,12H2,1-2H3/t13-/m1/s1