(3-oxidanylidene-1H-2-benzofuran-1-yl) 6-[(E)-3-cyanoprop-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 6-[(E)-3-cyanoprop-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 6-[(E)-3-cyanoallyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[(E)-3-cyanoprop-2-enyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 6-[(E)-3-cyanoprop-2-enyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-[(E)-3-cyanoallyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid phthalidyl ester Formula: C19H14N2O5 MolecularWeight: 350.32486

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C1C(C2=O)CC=CC#N)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C=C(N2C1C(C2=O)C/C=C/C#N)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H14N2O5/c20-10-4-3-7-13-14-8-9-15(21(14)16(13)22)18(24)26-19-12-6-2-1-5-11(12)17(23)25-19/h1-6,9,13-14,19H,7-8H2/b4-3+