methyl (2S)-4-cyano-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl (2S)-4-cyano-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-4-cyano-4-oxo-butanoate CAS Name: (2S)-4-cyano-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-cyano-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-cyano-4-keto-butyric acid methyl ester Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)C#N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CC(=O)C#N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H14N2O5/c1-20-13(18)12(7-11(17)8-15)16-14(19)21-9-10-5-3-2-4-6-10/h2-6,12H,7,9H2,1H3,(H,16,19)/t12-/m0/s1