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

Systemtic Name: [(3S,4R,5R,6R)-4,5-diacetyloxy-6-(5-bromanyl-6-nitro-indol-1-yl)oxan-3-yl] ethanoate Openeye Name: [(3S,4R,5R,6R)-4,5-diacetoxy-6-(5-bromo-6-nitro-indol-1-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3S,4R,5R,6R)-4,5-diacetyloxy-6-(5-bromo-6-nitro-1-indolyl)-3-oxanyl] ester IUPAC Name: [(3S,4R,5R,6R)-4,5-diacetyloxy-6-(5-bromo-6-nitroindol-1-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3S,4R,5R,6R)-4,5-diacetoxy-6-(5-bromo-6-nitro-indol-1-yl)tetrahydropyran-3-yl] ester Formula: C19H19BrN2O9 MolecularWeight: 499.26616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=CC3=CC(=C(C=C32)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)O[C@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)N2C=CC3=CC(=C(C=C32)[N+](=O)[O-])Br

InChI

InChI=1S/C19H19BrN2O9/c1-9(23)29-16-8-28-19(18(31-11(3)25)17(16)30-10(2)24)21-5-4-12-6-13(20)15(22(26)27)7-14(12)21/h4-7,16-19H,8H2,1-3H3/t16-,17+,18+,19+/m0/s1