[4-[(Z)-2-cyano-2-phenyl-ethenyl]-2-methoxy-phenyl] 2,3-bis(bromanyl)-3-phenyl-propanoate

Systemtic Name: [4-[(Z)-2-cyano-2-phenyl-ethenyl]-2-methoxy-phenyl] 2,3-bis(bromanyl)-3-phenyl-propanoate Openeye Name: [4-[(Z)-2-cyano-2-phenyl-vinyl]-2-methoxy-phenyl] 2,3-dibromo-3-phenyl-propanoate CAS Name: 2,3-dibromo-3-phenylpropanoic acid [4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 2,3-dibromo-3-phenylpropanoate Traditional Name: 2,3-dibromo-3-phenyl-propionic acid [4-[(Z)-2-cyano-2-phenyl-vinyl]-2-methoxy-phenyl] ester Formula: C25H19Br2NO3 MolecularWeight: 541.23126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C(C(C3=CC=CC=C3)Br)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=C2)OC(=O)C(C(C3=CC=CC=C3)Br)Br

InChI

InChI=1S/C25H19Br2NO3/c1-30-22-15-17(14-20(16-28)18-8-4-2-5-9-18)12-13-21(22)31-25(29)24(27)23(26)19-10-6-3-7-11-19/h2-15,23-24H,1H3/b20-14+