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

Systemtic Name: [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-ethanoate Openeye Name: [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] 2-cyano-2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-cyano-2-(1,3-dioxo-2-isoindolyl)acetic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-ethoxy-1-oxopropan-2-yl] 2-cyano-2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-cyano-2-phthalimido-acetic acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-3-23-15(21)9(2)24-16(22)12(8-17)18-13(19)10-6-4-5-7-11(10)14(18)20/h4-7,9,12H,3H2,1-2H3/t9-,12?/m0/s1