[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-13-7-6-8-15(11-13)20-24-23-19(30-20)14(2)29-21(26)16-9-10-17(22(3,4)5)18(12-16)25(27)28/h6-12,14H,1-5H3/t14-/m0/s1