dimethyl (E)-2-[1-(4-chlorophenyl)-2,2-dicyano-ethenyl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-(4-chlorophenyl)-2,2-dicyano-ethenyl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-(4-chlorophenyl)-2,2-dicyano-vinyl]but-2-enedioate CAS Name: (E)-2-[1-(4-chlorophenyl)-2,2-dicyanoethenyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-(4-chlorophenyl)-2,2-dicyanoethenyl]but-2-enedioate Traditional Name: (E)-2-[1-(4-chlorophenyl)-2,2-dicyano-vinyl]but-2-enedioic acid dimethyl ester Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O4/c1-22-14(20)7-13(16(21)23-2)15(11(8-18)9-19)10-3-5-12(17)6-4-10/h3-7H,1-2H3/b13-7+