ethyl 2-[3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)propanoylamino]ethanoate; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: ethyl 2-[3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)propanoylamino]ethanoate; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; ethyl 2-[3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)propanoylamino]acetate CAS Name: 2-[[3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-1-oxopropyl]amino]acetic acid ethyl ester; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; ethyl 2-[3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)propanoylamino]acetate Traditional Name: 2-[3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)propanoylamino]acetic acid ethyl ester; 3-phenylpropionic acid benzyl ester Formula: C25H31N2O7+ MolecularWeight: 471.52284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C9H14N2O5/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-3-15-8(13)6-10-7(12)4-5-11(2)9(14)16-11/h1-10H,11-13H2;3-6H2,1-2H3/p+1