[(2R,3R,4R)-2,3,4-triacetyloxy-5-(5-bromanyl-1H-indazol-3-yl)-5-oxidanylidene-pentyl] ethanoate

Systemtic Name: [(2R,3R,4R)-2,3,4-triacetyloxy-5-(5-bromanyl-1H-indazol-3-yl)-5-oxidanylidene-pentyl] ethanoate Openeye Name: [(2R,3R,4R)-2,3,4-triacetoxy-5-(5-bromo-1H-indazol-3-yl)-5-oxo-pentyl] acetate CAS Name: acetic acid [(2R,3R,4R)-2,3,4-triacetyloxy-5-(5-bromo-1H-indazol-3-yl)-5-oxopentyl] ester IUPAC Name: [(2R,3R,4R)-2,3,4-triacetyloxy-5-(5-bromo-1H-indazol-3-yl)-5-oxopentyl] acetate Traditional Name: acetic acid [(2R,3R,4R)-2,3,4-triacetoxy-5-(5-bromo-1H-indazol-3-yl)-5-keto-pentyl] ester Formula: C20H21BrN2O9 MolecularWeight: 513.29274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(=O)C1=NNC2=C1C=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@H](C(=O)C1=NNC2=C1C=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H21BrN2O9/c1-9(24)29-8-16(30-10(2)25)19(31-11(3)26)20(32-12(4)27)18(28)17-14-7-13(21)5-6-15(14)22-23-17/h5-7,16,19-20H,8H2,1-4H3,(H,22,23)/t16-,19-,20+/m1/s1