dimethyl (E)-2-[(4-bromanyl-2-cyano-phenyl)amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[(4-bromanyl-2-cyano-phenyl)amino]but-2-enedioate Openeye Name: dimethyl (E)-2-(4-bromo-2-cyano-anilino)but-2-enedioate CAS Name: (E)-2-(4-bromo-2-cyanoanilino)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(4-bromo-2-cyanoanilino)but-2-enedioate Traditional Name: (E)-2-(4-bromo-2-cyano-anilino)but-2-enedioic acid dimethyl ester Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O4/c1-19-12(17)6-11(13(18)20-2)16-10-4-3-9(14)5-8(10)7-15/h3-6,16H,1-2H3/b11-6+