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

Systemtic Name: (phenylmethyl) 6-[(E)-3-cyanoprop-2-enyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C1C(C2=O)CC=CC#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C=C(N2C1C(C2=O)C/C=C/C#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3/c19-11-5-4-8-14-15-9-10-16(20(15)17(14)21)18(22)23-12-13-6-2-1-3-7-13/h1-7,10,14-15H,8-9,12H2/b5-4+