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

Systemtic Name: [5-methoxy-4-nitrooxy-3-(4-nitrophenyl)carbonyloxy-oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-methoxy-3-(4-nitrobenzoyl)oxy-4-nitrooxy-tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-methoxy-4-nitrooxy-3-[(4-nitrophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-methoxy-3-(4-nitrobenzoyl)oxy-4-nitrooxyoxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-methoxy-3-(4-nitrobenzoyl)oxy-4-nitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C20H17N3O13 MolecularWeight: 507.36128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O13/c1-32-20-17(36-23(30)31)16(35-19(25)12-4-8-14(9-5-12)22(28)29)15(34-20)10-33-18(24)11-2-6-13(7-3-11)21(26)27/h2-9,15-17,20H,10H2,1H3