[5-(4,5-dicyanoimidazol-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4,5-dicyanoimidazol-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(4,5-dicyanoimidazol-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(4,5-dicyano-1-imidazolyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(4,5-dicyanoimidazol-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(4,5-dicyanoimidazol-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H22N4O7 MolecularWeight: 562.52898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC(=C3C#N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC(=C3C#N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H22N4O7/c32-16-23-24(17-33)35(19-34-23)28-27(42-31(38)22-14-8-3-9-15-22)26(41-30(37)21-12-6-2-7-13-21)25(40-28)18-39-29(36)20-10-4-1-5-11-20/h1-15,19,25-28H,18H2