[2-[[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[2-(2-cyanoaziridin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[2-(2-cyanoaziridin-1-yl)-2-oxo-ethyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[2-(2-cyano-1-aziridinyl)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[2-(2-cyanoethylenimin-1-yl)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NCC(=O)N2CC2C#N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NCC(=O)N2CC2C#N

InChI

InChI=1S/C14H13N3O4/c1-9(18)21-12-5-3-2-4-11(12)14(20)16-7-13(19)17-8-10(17)6-15/h2-5,10H,7-8H2,1H3,(H,16,20)