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

Systemtic Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(5-nitroindol-1-yl)oxan-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-4,5-diacetoxy-6-(5-nitroindol-1-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(5-nitro-1-indolyl)-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-(5-nitroindol-1-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetoxy-6-(5-nitroindol-1-yl)tetrahydropyran-3-yl] ester Formula: C19H20N2O9 MolecularWeight: 420.3701

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O9/c1-10(22)28-16-9-27-19(18(30-12(3)24)17(16)29-11(2)23)20-7-6-13-8-14(21(25)26)4-5-15(13)20/h4-8,16-19H,9H2,1-3H3/t16-,17-,18+,19+/m0/s1