2-[2-(2-cyanoaziridin-1-yl)-1-oxidanyl-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 2-[2-(2-cyanoaziridin-1-yl)-1-oxidanyl-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 2-[2-(2-cyanoaziridin-1-yl)-1-hydroxy-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 2-[2-(2-cyano-1-aziridinyl)-1-hydroxy-2-oxoethyl]-N-methylbenzamide IUPAC Name: 2-[2-(2-cyanoaziridin-1-yl)-1-hydroxy-2-oxoethyl]-N-methylbenzamide Traditional Name: 2-[2-(2-cyanoethylenimin-1-yl)-1-hydroxy-2-keto-ethyl]-N-methyl-benzamide Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1C(C(=O)N2CC2C#N)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1C(C(=O)N2CC2C#N)O

InChI

InChI=1S/C13H13N3O3/c1-15-12(18)10-5-3-2-4-9(10)11(17)13(19)16-7-8(16)6-14/h2-5,8,11,17H,7H2,1H3,(H,15,18)