[(3S,4R,5S,6S)-4,5-diacetyloxy-6-(4-nitrobenzotriazol-1-yl)oxan-3-yl] ethanoate

Systemtic Name: [(3S,4R,5S,6S)-4,5-diacetyloxy-6-(4-nitrobenzotriazol-1-yl)oxan-3-yl] ethanoate Openeye Name: [(3S,4R,5S,6S)-4,5-diacetoxy-6-(4-nitrobenzotriazol-1-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3S,4R,5S,6S)-4,5-diacetyloxy-6-(4-nitro-1-benzotriazolyl)-3-oxanyl] ester IUPAC Name: [(3S,4R,5S,6S)-4,5-diacetyloxy-6-(4-nitrobenzotriazol-1-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3S,4R,5S,6S)-4,5-diacetoxy-6-(4-nitrobenzotriazol-1-yl)tetrahydropyran-3-yl] ester Formula: C17H18N4O9 MolecularWeight: 422.34622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)N2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C17H18N4O9/c1-8(22)28-13-7-27-17(16(30-10(3)24)15(13)29-9(2)23)20-11-5-4-6-12(21(25)26)14(11)18-19-20/h4-6,13,15-17H,7H2,1-3H3/t13-,15+,16-,17-/m0/s1