4-cyano-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 4-cyano-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-cyano-butanoate CAS Name: 4-cyano-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-cyano-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-cyano-butyrate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC#N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7,9H2,(H,15,18)(H,16,17)/p-1