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

Systemtic Name: [(3S,4S,5R,6R)-5-acetyloxy-6-(6-nitroindol-1-yl)-4-oxidanyl-oxan-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-5-acetoxy-4-hydroxy-6-(6-nitroindol-1-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-(6-nitro-1-indolyl)-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-5-acetyloxy-4-hydroxy-6-(6-nitroindol-1-yl)oxan-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-5-acetoxy-4-hydroxy-6-(6-nitroindol-1-yl)tetrahydropyran-3-yl] ester Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1O)OC(=O)C)N2C=CC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O8/c1-9(20)26-14-8-25-17(16(15(14)22)27-10(2)21)18-6-5-11-3-4-12(19(23)24)7-13(11)18/h3-7,14-17,22H,8H2,1-2H3/t14-,15-,16+,17+/m0/s1