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

Systemtic Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-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] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC(=NO1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-13(19-22-18(23-30-19)14-6-4-3-5-7-14)29-20(25)15-8-9-16(21-10-11-28-2)17(12-15)24(26)27/h3-9,12-13,21H,10-11H2,1-2H3/t13-/m1/s1