[5-cyano-3,4-bis[(4-nitrophenyl)carbonyloxy]oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-cyano-3,4-bis[(4-nitrophenyl)carbonyloxy]oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-cyano-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-cyano-3,4-bis[(4-nitrophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-cyano-3,4-bis[(4-nitrobenzoyl)oxy]oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-cyano-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydrofuran-2-yl]methyl ester Formula: C27H18N4O13 MolecularWeight: 606.45082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)C#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)C#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H18N4O13/c28-13-21-23(43-26(33)16-3-9-19(10-4-16)30(37)38)24(44-27(34)17-5-11-20(12-6-17)31(39)40)22(42-21)14-41-25(32)15-1-7-18(8-2-15)29(35)36/h1-12,21-24H,14H2