sodium 2-oxidanylidene-4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: sodium 2-oxidanylidene-4-(phenylmethoxycarbonylamino)butanoate Openeye Name: sodium 4-(benzyloxycarbonylamino)-2-oxo-butanoate CAS Name: sodium 2-oxo-4-(phenylmethoxycarbonylamino)butanoate IUPAC Name: sodium 2-oxo-4-(phenylmethoxycarbonylamino)butanoate Traditional Name: sodium 4-(benzyloxycarbonylamino)-2-keto-butyrate Formula: C12H12NNaO5 MolecularWeight: 273.21715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(=O)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H13NO5.Na/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,13,17)(H,15,16);/q;+1/p-1