N-(7-fluoranyl-4-oxidanylidene-2,3-dihydro-1,4-benzoxazin-4-ium-6-yl)butan-2-imine

Systemtic Name: N-(7-fluoranyl-4-oxidanylidene-2,3-dihydro-1,4-benzoxazin-4-ium-6-yl)butan-2-imine Openeye Name: N-(7-fluoro-4-oxo-2,3-dihydro-1,4-benzoxazin-4-ium-6-yl)butan-2-imine CAS Name: N-(7-fluoro-4-oxo-2,3-dihydro-1,4-benzoxazin-4-ium-6-yl)-2-butanimine IUPAC Name: N-(7-fluoro-4-oxo-2,3-dihydro-1,4-benzoxazin-4-ium-6-yl)butan-2-imine Traditional Name: (7-fluoro-4-keto-2,3-dihydro-1,4-benzoxazin-4-ium-6-yl)-(1-methylpropylidene)amine Formula: C12H14FN2O2+ MolecularWeight: 237.250163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC1=CC2=C(C=C1F)OCC[N+]2=O)C

Isomeric SMILES

CCC(=NC1=CC2=C(C=C1F)OCC[N+]2=O)C

InChI

InChI=1S/C12H14FN2O2/c1-3-8(2)14-10-7-11-12(6-9(10)13)17-5-4-15(11)16/h6-7H,3-5H2,1-2H3/q+1