tert-butyl N-methyl-N-[2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethyl]carbamate; 3-phenylpropanoic acid

Systemtic Name: tert-butyl N-methyl-N-[2-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)ethyl]carbamate; 3-phenylpropanoic acid Openeye Name: tert-butyl N-methyl-N-[2-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)ethyl]carbamate; 3-phenylpropanoic acid CAS Name: N-methyl-N-[2-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)ethyl]carbamic acid tert-butyl ester; 3-phenylpropanoic acid IUPAC Name: tert-butyl N-methyl-N-[2-(2-methyl-3-oxooxaziridin-2-ium-2-yl)ethyl]carbamate; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; N-[2-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C19H29N2O6+ MolecularWeight: 381.44336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C10H19N2O4.C9H10O2/c1-10(2,3)15-8(13)11(4)6-7-12(5)9(14)16-12;10-9(11)7-6-8-4-2-1-3-5-8/h6-7H2,1-5H3;1-5H,6-7H2,(H,10,11)/q+1;