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

Systemtic Name: N-butyl-2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; N-butyl-2-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)acetamide CAS Name: N-butyl-2-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)acetamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; N-butyl-2-(2-methyl-3-oxooxaziridin-2-ium-2-yl)acetamide Traditional Name: N-butyl-2-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)acetamide; 3-phenylpropionic acid benzyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C8H14N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-3-4-5-9-7(11)6-10(2)8(12)13-10/h1-10H,11-13H2;3-6H2,1-2H3/p+1