(1S,6R)-6-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylate Formula: C15H12BrN2O3- MolecularWeight: 348.17138

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC(=NO2)C3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C2=NC(=NO2)C3=CC(=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C15H13BrN2O3/c16-10-5-3-4-9(8-10)13-17-14(21-18-13)11-6-1-2-7-12(11)15(19)20/h1-5,8,11-12H,6-7H2,(H,19,20)/p-1/t11-,12+/m1/s1