ethyl (5E)-2-oxidanidyl-5-(1-oxidanylethylidene)-4-propan-2-yl-4H-1,2-oxazol-2-ium-3-carboxylate

Systemtic Name: ethyl (5E)-2-oxidanidyl-5-(1-oxidanylethylidene)-4-propan-2-yl-4H-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl (5E)-5-(1-hydroxyethylidene)-4-isopropyl-2-oxido-4H-isoxazol-2-ium-3-carboxylate CAS Name: (5E)-5-(1-hydroxyethylidene)-2-oxido-4-propan-2-yl-4H-isoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-(1-hydroxyethylidene)-2-oxido-4-propan-2-yl-4H-1,2-oxazol-2-ium-3-carboxylate Traditional Name: (5E)-5-(1-hydroxyethylidene)-4-isopropyl-2-oxido-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C11H17NO5 MolecularWeight: 243.25638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC(=C(C)O)C1C(C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](O/C(=C(\C)/O)/C1C(C)C)[O-]

InChI

InChI=1S/C11H17NO5/c1-5-16-11(14)9-8(6(2)3)10(7(4)13)17-12(9)15/h6,8,13H,5H2,1-4H3/b10-7+