phenacyl 3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)propanoate; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: phenacyl 3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)propanoate; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; phenacyl 3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)propanoic acid phenacyl ester; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; phenacyl 3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)propionic acid phenacyl ester; 3-phenylpropionic acid benzyl ester Formula: C29H30NO7+ MolecularWeight: 504.551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C13H14NO5/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-14(13(17)19-14)8-7-12(16)18-9-11(15)10-5-3-2-4-6-10/h1-10H,11-13H2;2-6H,7-9H2,1H3/q;+1