[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C13H15BrN4O9 MolecularWeight: 451.1836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C(=NC(=N2)[N+](=O)[O-])Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=NC(=N2)[N+](=O)[O-])Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H15BrN4O9/c1-5(19)24-4-8-9(25-6(2)20)10(26-7(3)21)11(27-8)17-12(14)15-13(16-17)18(22)23/h8-11H,4H2,1-3H3/t8-,9-,10-,11-/m1/s1