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

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-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] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-10-3-8-14(15(22)9-10)18(23)26-11(2)16-19-20-17(27-16)12-4-6-13(7-5-12)21(24)25/h3-9,11,22H,1-2H3/t11-/m1/s1