(2R,3R,4S,5R)-2-(3-bromanyl-6-nitro-indol-1-yl)oxane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5R)-2-(3-bromanyl-6-nitro-indol-1-yl)oxane-3,4,5-triol Openeye Name: (2R,3R,4S,5R)-2-(3-bromo-6-nitro-indol-1-yl)tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4S,5R)-2-(3-bromo-6-nitro-1-indolyl)oxane-3,4,5-triol IUPAC Name: (2R,3R,4S,5R)-2-(3-bromo-6-nitroindol-1-yl)oxane-3,4,5-triol Traditional Name: (2R,3R,4S,5R)-2-(3-bromo-6-nitro-indol-1-yl)tetrahydropyran-3,4,5-triol Formula: C13H13BrN2O6 MolecularWeight: 373.15612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=C(C3=C2C=C(C=C3)[N+](=O)[O-])Br)O)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(C3=C2C=C(C=C3)[N+](=O)[O-])Br)O)O)O

InChI

InChI=1S/C13H13BrN2O6/c14-8-4-15(13-12(19)11(18)10(17)5-22-13)9-3-6(16(20)21)1-2-7(8)9/h1-4,10-13,17-19H,5H2/t10-,11+,12-,13-/m1/s1