dimethyl 3-cyano-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate

Systemtic Name: dimethyl 3-cyano-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate Openeye Name: dimethyl 5-benzyl-3-cyano-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate CAS Name: 3-cyano-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzyl-3-cyano-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate Traditional Name: 5-benzyl-3-cyano-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CC(=CN(C2C1C(=O)OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1C2CC(=CN(C2C1C(=O)OC)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H20N2O4/c1-24-18(22)15-14-8-13(9-20)11-21(10-12-6-4-3-5-7-12)17(14)16(15)19(23)25-2/h3-7,11,14-17H,8,10H2,1-2H3