4-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-butanamide; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 4-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-butanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; N-isopropyl-4-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)butanamide CAS Name: 4-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-propan-2-ylbutanamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 4-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-propan-2-ylbutanamide Traditional Name: N-isopropyl-4-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)butyramide; 3-phenylpropionic acid benzyl ester Formula: C25H33N2O5+ MolecularWeight: 441.53992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C9H16N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-7(2)10-8(12)5-4-6-11(3)9(13)14-11/h1-10H,11-13H2;7H,4-6H2,1-3H3/p+1