(phenylmethyl) N-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-(2-cyanoaziridin-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[2-(2-cyano-1-aziridinyl)-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamate Traditional Name: N-[2-(2-cyanoethylenimin-1-yl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=O)CNC(=O)OCC2=CC=CC=C2)C#N

Isomeric SMILES

C1C(N1C(=O)CNC(=O)OCC2=CC=CC=C2)C#N

InChI

InChI=1S/C13H13N3O3/c14-6-11-8-16(11)12(17)7-15-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,7-9H2,(H,15,18)