tert-butyl N-methyl-N-[2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethyl]carbamate; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: tert-butyl N-methyl-N-[2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethyl]carbamate; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; tert-butyl N-methyl-N-[2-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)ethyl]carbamate CAS Name: N-methyl-N-[2-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)ethyl]carbamic acid tert-butyl ester; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; tert-butyl N-methyl-N-[2-(2-methyl-3-oxooxaziridin-2-ium-2-yl)ethyl]carbamate Traditional Name: N-[2-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)ethyl]-N-methyl-carbamic acid tert-butyl ester; 3-phenylpropionic acid benzyl ester Formula: C26H35N2O6+ MolecularWeight: 471.5659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C10H19N2O4/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-10(2,3)15-8(13)11(4)6-7-12(5)9(14)16-12/h1-10H,11-13H2;6-7H2,1-5H3/q;+1