[(4R,6R)-6-butoxy-2-oxidanidyl-5,6-dihydro-4H-1,2-oxazin-2-ium-4-yl] benzoate

Systemtic Name: [(4R,6R)-6-butoxy-2-oxidanidyl-5,6-dihydro-4H-1,2-oxazin-2-ium-4-yl] benzoate Openeye Name: [(4R,6R)-6-butoxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-4-yl] benzoate CAS Name: benzoic acid [(4R,6R)-6-butoxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-4-yl] ester IUPAC Name: [(4R,6R)-6-butoxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-4-yl] benzoate Traditional Name: benzoic acid [(4R,6R)-6-butoxy-2-oxido-5,6-dihydro-4H-oxazin-2-ium-4-yl] ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC(C=[N+](O1)[O-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCO[C@H]1C[C@H](C=[N+](O1)[O-])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H19NO5/c1-2-3-9-19-14-10-13(11-16(18)21-14)20-15(17)12-7-5-4-6-8-12/h4-8,11,13-14H,2-3,9-10H2,1H3/t13-,14-/m1/s1