ethyl 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-4-bromanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-4-bromanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-4-bromo-phenoxy]acetate CAS Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-4-bromophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-4-bromophenoxy]acetate Traditional Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-4-bromo-phenoxy]acetic acid ethyl ester Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H16BrN3O3/c1-2-26-19(25)12-27-18-8-7-15(21)10-13(18)9-14(11-22)20-23-16-5-3-4-6-17(16)24-20/h3-10H,2,12H2,1H3,(H,23,24)/b14-9+