dimethyl (E)-2-cyano-3-phenylazanyl-but-2-enedioate

Systemtic Name: dimethyl (E)-2-cyano-3-phenylazanyl-but-2-enedioate Openeye Name: dimethyl (E)-2-anilino-3-cyano-but-2-enedioate CAS Name: (E)-2-anilino-3-cyano-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-anilino-3-cyanobut-2-enedioate Traditional Name: (E)-2-anilino-3-cyano-but-2-enedioic acid dimethyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)NC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)/C(=C(\C(=O)OC)/NC1=CC=CC=C1)/C#N

InChI

InChI=1S/C13H12N2O4/c1-18-12(16)10(8-14)11(13(17)19-2)15-9-6-4-3-5-7-9/h3-7,15H,1-2H3/b11-10+