tert-butyl 2-[(E)-[2-acetamido-3-(hydroxymethyl)-4-oxidanylidene-azetidin-1-ium-1-ylidene]amino]oxyethanoate

Systemtic Name: tert-butyl 2-[(E)-[2-acetamido-3-(hydroxymethyl)-4-oxidanylidene-azetidin-1-ium-1-ylidene]amino]oxyethanoate Openeye Name: tert-butyl 2-[(E)-[2-acetamido-3-(hydroxymethyl)-4-oxo-azetidin-1-ium-1-ylidene]amino]oxyacetate CAS Name: 2-[(E)-[2-acetamido-3-(hydroxymethyl)-4-oxo-1-azetidin-1-iumylidene]amino]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-[2-acetamido-3-(hydroxymethyl)-4-oxoazetidin-1-ium-1-ylidene]amino]oxyacetate Traditional Name: 2-[(E)-(2-acetamido-4-keto-3-methylol-azetidin-1-ium-1-ylidene)amino]oxyacetic acid tert-butyl ester Formula: C12H20N3O6+ MolecularWeight: 302.3037

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(=O)[N+]1=NOCC(=O)OC(C)(C)C)CO

Isomeric SMILES

CC(=O)NC\1C(C(=O)/[N+]1=N/OCC(=O)OC(C)(C)C)CO

InChI

InChI=1S/C12H19N3O6/c1-7(17)13-10-8(5-16)11(19)15(10)14-20-6-9(18)21-12(2,3)4/h8,10,16H,5-6H2,1-4H3/p+1/b15-14+