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

Systemtic Name: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C)C2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-10-14(8-9-15(11)21(23)24)18(22)25-12(2)16-19-20-17(26-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1