1-[3,4-bis(oxidanyl)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-4-cyano-1H-imidazol-1-ium-5-olate

Systemtic Name: 1-[3,4-bis(oxidanyl)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-4-cyano-1H-imidazol-1-ium-5-olate Openeye Name: 1-[5-(benzoyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-4-cyano-1H-imidazol-1-ium-5-olate CAS Name: 1-[5-(benzoyloxymethyl)-3,4-dihydroxy-2-oxolanyl]-4-cyano-1H-imidazol-1-ium-5-olate IUPAC Name: 1-[5-(benzoyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-4-cyano-1H-imidazol-1-ium-5-olate Traditional Name: 1-[5-(benzoyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-4-cyano-1H-imidazol-1-ium-5-olate Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)[NH+]3C=NC(=C3[O-])C#N)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)[NH+]3C=NC(=C3[O-])C#N)O)O

InChI

InChI=1S/C16H15N3O6/c17-6-10-14(22)19(8-18-10)15-13(21)12(20)11(25-15)7-24-16(23)9-4-2-1-3-5-9/h1-5,8,11-13,15,20-22H,7H2