2,2-diethyl-3-oxidanylidene-4-phenyl-1,2-oxazol-2-ium-5-olate

Systemtic Name: 2,2-diethyl-3-oxidanylidene-4-phenyl-1,2-oxazol-2-ium-5-olate Openeye Name: 2,2-diethyl-3-oxo-4-phenyl-isoxazol-2-ium-5-olate CAS Name: 2,2-diethyl-3-oxo-4-phenyl-5-isoxazol-2-iumolate IUPAC Name: 2,2-diethyl-3-oxo-4-phenyl-1,2-oxazol-2-ium-5-olate Traditional Name: 2,2-diethyl-3-keto-4-phenyl-4-isoxazolin-2-ium-5-olate Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C(=C(O1)[O-])C2=CC=CC=C2)CC

Isomeric SMILES

CC[N+]1(C(=O)C(=C(O1)[O-])C2=CC=CC=C2)CC

InChI

InChI=1S/C13H15NO3/c1-3-14(4-2)12(15)11(13(16)17-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3