2-(1-ethyl-3-oxidanylidene-2-phenyl-isoindol-1-yl)propanedioate

Systemtic Name: 2-(1-ethyl-3-oxidanylidene-2-phenyl-isoindol-1-yl)propanedioate Openeye Name: 2-(1-ethyl-3-oxo-2-phenyl-isoindolin-1-yl)propanedioate CAS Name: 2-(1-ethyl-3-oxo-2-phenyl-1-isoindolyl)propanedioate IUPAC Name: 2-(1-ethyl-3-oxo-2-phenylisoindol-1-yl)propanedioate Traditional Name: 2-(1-ethyl-3-keto-2-phenyl-isoindolin-1-yl)malonate Formula: C19H15NO5-2 MolecularWeight: 337.3261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H17NO5/c1-2-19(15(17(22)23)18(24)25)14-11-7-6-10-13(14)16(21)20(19)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,22,23)(H,24,25)/p-2