4-bromanyl-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-bromanyl-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-bromo-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 4-bromo-3-[4-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 4-bromo-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 4-bromo-3-[4-[(E)-3-phenylacryloyl]phenyl]oxadiazol-3-ium-5-olate Formula: C17H11BrN2O3 MolecularWeight: 371.18484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+]3=NOC(=C3Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+]3=NOC(=C3Br)[O-]

InChI

InChI=1S/C17H11BrN2O3/c18-16-17(22)23-19-20(16)14-9-7-13(8-10-14)15(21)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+