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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=O)CC[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;1-6(2)9-7(11)4-5-10(3)8(12)13-10/h1-10H,11-13H2;6H,4-5H2,1-3H3/p+1