4-cyano-4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 4-cyano-4-(phenylmethoxycarbonylamino)butanoate Openeye Name: 4-(benzyloxycarbonylamino)-4-cyano-butanoate CAS Name: 4-cyano-4-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-cyano-4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(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(=O)[O-])C#N

Isomeric SMILES

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

InChI

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