N-methyl-3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-phenyl-propanamide; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: N-methyl-3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-phenyl-propanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; N-methyl-3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)-N-phenyl-propanamide CAS Name: N-methyl-3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-phenylpropanamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; N-methyl-3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-phenylpropanamide Traditional Name: 3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-methyl-N-phenyl-propionamide; 3-phenylpropionic acid benzyl ester Formula: C28H31N2O5+ MolecularWeight: 475.55614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CC[N+]2(C(=O)O2)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CC[N+]2(C(=O)O2)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C12H15N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-13(10-6-4-3-5-7-10)11(15)8-9-14(2)12(16)17-14/h1-10H,11-13H2;3-7H,8-9H2,1-2H3/q;+1