[2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxidanylidene-propyl] ethanoate

Systemtic Name: [2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxidanylidene-propyl] ethanoate Openeye Name: [2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxo-propyl] acetate CAS Name: acetic acid [2-acetamido-3-(2-cyano-1-aziridinyl)-3-oxopropyl] ester IUPAC Name: [2-acetamido-3-(2-cyanoaziridin-1-yl)-3-oxopropyl] acetate Traditional Name: acetic acid [2-acetamido-3-(2-cyanoethylenimin-1-yl)-3-keto-propyl] ester Formula: C10H13N3O4 MolecularWeight: 239.22792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)C)C(=O)N1CC1C#N

Isomeric SMILES

CC(=O)NC(COC(=O)C)C(=O)N1CC1C#N

InChI

InChI=1S/C10H13N3O4/c1-6(14)12-9(5-17-7(2)15)10(16)13-4-8(13)3-11/h8-9H,4-5H2,1-2H3,(H,12,14)