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

Systemtic Name: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c1-11-7-6-10-14(21(23)24)15(11)18(22)25-12(2)16-19-20-17(26-16)13-8-4-3-5-9-13/h3-10,12H,1-2H3/t12-/m0/s1