[1-(2-cyanoaziridin-1-yl)-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [1-(2-cyanoaziridin-1-yl)-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [2-(2-cyanoaziridin-1-yl)-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-(2-cyano-1-aziridinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoaziridin-1-yl)-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [2-(2-cyanoethylenimin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC1C#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N1CC1C#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3/c1-9(12(16)15-8-11(15)7-14)18-13(17)10-5-3-2-4-6-10/h2-6,9,11H,8H2,1H3