5-[(E)-1-azoniabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 5-[(E)-1-azoniabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 5-[(E)-1-azoniabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-isoxazole; 2-hydroxy-2-oxo-acetate CAS Name: 5-[(E)-1-azoniabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methylisoxazole; 2-hydroxy-2-oxoacetate IUPAC Name: 5-[(E)-1-azoniabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-1,2-oxazole; 2-hydroxy-2-oxoacetate Traditional Name: 5-[(E)-1-azoniabicyclo[2.2.1]heptan-3-ylidenemethyl]-3-methyl-isoxazole binoxalate Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C=C2C[NH+]3CCC2C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=NOC(=C1)/C=C\2/C[NH+]3CCC2C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H14N2O.C2H2O4/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13;3-1(4)2(5)6/h4-5,9H,2-3,6-7H2,1H3;(H,3,4)(H,5,6)/b10-5-;