[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] ester IUPAC Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O7/c1-4-28-17-10-14(15(23(25)26)11-16(17)27-3)20(24)29-12(2)19-21-18(22-30-19)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3/t12-/m1/s1