2-oxidanylidenepropyl 2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethanoate; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 2-oxidanylidenepropyl 2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethanoate; (phenylmethyl) 3-phenylpropanoate Openeye Name: acetonyl 2-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)acetate; benzyl 3-phenylpropanoate CAS Name: 2-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)acetic acid 2-oxopropyl ester; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 2-oxopropyl 2-(2-methyl-3-oxooxaziridin-2-ium-2-yl)acetate Traditional Name: 2-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)acetic acid acetonyl ester; 3-phenylpropionic acid benzyl ester Formula: C23H26NO7+ MolecularWeight: 428.45504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C7H10NO5/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-5(9)4-12-6(10)3-8(2)7(11)13-8/h1-10H,11-13H2;3-4H2,1-2H3/q;+1