4-aza-1-azoniabicyclo[2.2.2]octane; 4-ethanoyl-5-methoxycarbonyl-2-oxidanylidene-5-(2-oxidanylidenepropyl)furan-3-olate

Systemtic Name: 4-aza-1-azoniabicyclo[2.2.2]octane; 4-ethanoyl-5-methoxycarbonyl-2-oxidanylidene-5-(2-oxidanylidenepropyl)furan-3-olate Openeye Name: 5-acetonyl-4-acetyl-5-methoxycarbonyl-2-oxo-furan-3-olate; 4-aza-1-azoniabicyclo[2.2.2]octane CAS Name: 4-acetyl-5-methoxycarbonyl-2-oxo-5-(2-oxopropyl)-3-furanolate; 4-aza-1-azoniabicyclo[2.2.2]octane IUPAC Name: 4-acetyl-5-methoxycarbonyl-2-oxo-5-(2-oxopropyl)furan-3-olate; 4-aza-1-azoniabicyclo[2.2.2]octane Traditional Name: 5-acetonyl-4-acetyl-5-carbomethoxy-2-keto-furan-3-olate; 4-aza-1-azoniabicyclo[2.2.2]octane Formula: C17H24N2O7 MolecularWeight: 368.38166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C(=C(C(=O)O1)[O-])C(=O)C)C(=O)OC.C1CN2CC[NH+]1CC2

Isomeric SMILES

CC(=O)CC1(C(=C(C(=O)O1)[O-])C(=O)C)C(=O)OC.C1CN2CC[NH+]1CC2

InChI

InChI=1S/C11H12O7.C6H12N2/c1-5(12)4-11(10(16)17-3)7(6(2)13)8(14)9(15)18-11;1-2-8-5-3-7(1)4-6-8/h14H,4H2,1-3H3;1-6H2