[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-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] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-11-6-4-8-14(10-11)18-21-20-17(27-18)13(3)26-19(23)16-12(2)7-5-9-15(16)22(24)25/h4-10,13H,1-3H3/t13-/m0/s1