[(1S,2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-cyano-propyl] ethanoate

Systemtic Name: [(1S,2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-cyano-propyl] ethanoate Openeye Name: [(1S,2S)-1-cyano-2-(1,3-dioxoisoindolin-2-yl)propyl] acetate CAS Name: acetic acid [(1S,2S)-1-cyano-2-(1,3-dioxo-2-isoindolyl)propyl] ester IUPAC Name: [(1S,2S)-1-cyano-2-(1,3-dioxoisoindol-2-yl)propyl] acetate Traditional Name: acetic acid [(1S,2S)-1-cyano-2-phthalimido-propyl] ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C#N)OC(=O)C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C[C@@H]([C@@H](C#N)OC(=O)C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H12N2O4/c1-8(12(7-15)20-9(2)17)16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,8,12H,1-2H3/t8-,12+/m0/s1