[5-methoxy-4-(4-nitrophenyl)carbonyloxy-3-thiocyanato-oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-methoxy-4-(4-nitrophenyl)carbonyloxy-3-thiocyanato-oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-methoxy-4-(4-nitrobenzoyl)oxy-3-thiocyanato-tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-methoxy-4-[(4-nitrophenyl)-oxomethoxy]-3-thiocyanato-2-oxolanyl]methyl ester IUPAC Name: [5-methoxy-4-(4-nitrobenzoyl)oxy-3-thiocyanatooxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-methoxy-4-(4-nitrobenzoyl)oxy-3-thiocyanato-tetrahydrofuran-2-yl]methyl ester Formula: C21H17N3O10S MolecularWeight: 503.43878

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O10S/c1-31-21-17(34-20(26)13-4-8-15(9-5-13)24(29)30)18(35-11-22)16(33-21)10-32-19(25)12-2-6-14(7-3-12)23(27)28/h2-9,16-18,21H,10H2,1H3