(2S,3aS)-2-butoxy-3a-methyl-6-oxidanidyl-5-phenyl-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-4-one

Systemtic Name: (2S,3aS)-2-butoxy-3a-methyl-6-oxidanidyl-5-phenyl-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-4-one Openeye Name: (2S,3aS)-2-butoxy-3a-methyl-6-oxido-5-phenyl-2,3-dihydropyrazolo[1,5-b]isoxazol-6-ium-4-one CAS Name: (2S,3aS)-2-butoxy-3a-methyl-6-oxido-5-phenyl-2,3-dihydropyrazolo[1,5-b]isoxazol-6-ium-4-one IUPAC Name: (2S,3aS)-2-butoxy-3a-methyl-6-oxido-5-phenyl-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-4-one Traditional Name: (2S,3aS)-2-butoxy-3a-methyl-6-oxido-5-phenyl-2,3-dihydropyrazol[1,5-b]isoxazol-6-ium-4-one Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2(C(=O)C(=[N+](N2O1)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCCCO[C@@H]1C[C@]2(C(=O)C(=[N+](N2O1)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C16H20N2O4/c1-3-4-10-21-13-11-16(2)15(19)14(17(20)18(16)22-13)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,16-/m0/s1