[4-(cyanomethyl)-6-methoxy-3-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [4-(cyanomethyl)-6-methoxy-3-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxan-2-yl]methyl 4-nitrobenzoate Openeye Name: [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-(4-nitrobenzoyl)oxy-tetrahydropyran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-[(4-nitrophenyl)-oxomethoxy]-2-oxanyl]methyl ester IUPAC Name: [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-(4-nitrobenzoyl)oxyoxan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-(4-nitrobenzoyl)oxy-tetrahydropyran-2-yl]methyl ester Formula: C23H21N3O11 MolecularWeight: 515.42634

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(CC#N)O

Isomeric SMILES

COC1CC(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(CC#N)O

InChI

InChI=1S/C23H21N3O11/c1-34-19-12-23(29,10-11-24)20(37-22(28)15-4-8-17(9-5-15)26(32)33)18(36-19)13-35-21(27)14-2-6-16(7-3-14)25(30)31/h2-9,18-20,29H,10,12-13H2,1H3