bis(phenylmethyl) (E)-2-cyanobut-2-enedioate

Systemtic Name: bis(phenylmethyl) (E)-2-cyanobut-2-enedioate Openeye Name: dibenzyl (E)-2-cyanobut-2-enedioate CAS Name: (E)-2-cyano-2-butenedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (E)-2-cyanobut-2-enedioate Traditional Name: (E)-2-cyanobut-2-enedioic acid dibenzyl ester Formula: C19H15NO4 MolecularWeight: 321.3267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C=C(C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C=C(\C#N)/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H15NO4/c20-12-17(19(22)24-14-16-9-5-2-6-10-16)11-18(21)23-13-15-7-3-1-4-8-15/h1-11H,13-14H2/b17-11+