sodium 2-[(Z)-4-oxidanylidene-4-(2-phenylpropylcarbamoyloxy)but-2-enoyl]oxyethanolate

Systemtic Name: sodium 2-[(Z)-4-oxidanylidene-4-(2-phenylpropylcarbamoyloxy)but-2-enoyl]oxyethanolate Openeye Name: sodium 2-[(Z)-4-oxo-4-(2-phenylpropylcarbamoyloxy)but-2-enoyl]oxyethanolate CAS Name: sodium 2-[(Z)-1,4-dioxo-4-[oxo-(2-phenylpropylamino)methoxy]but-2-enoxy]ethanolate IUPAC Name: sodium 2-[(Z)-4-oxo-4-(2-phenylpropylcarbamoyloxy)but-2-enoyl]oxyethanolate Traditional Name: sodium 2-[(Z)-4-keto-4-(2-phenylpropylcarbamoyloxy)but-2-enoyl]oxyethanolate Formula: C16H18NNaO6 MolecularWeight: 343.30699

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(=O)C=CC(=O)OCC[O-])C1=CC=CC=C1.[Na+]

Isomeric SMILES

CC(CNC(=O)OC(=O)/C=C\C(=O)OCC[O-])C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C16H18NO6.Na/c1-12(13-5-3-2-4-6-13)11-17-16(21)23-15(20)8-7-14(19)22-10-9-18;/h2-8,12H,9-11H2,1H3,(H,17,21);/q-1;+1/b8-7-;