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

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-methylbenzoate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-1-[5-(4-nitrophenyl)-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=CC=CC(=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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