ethyl 2-[4-bromanyl-2-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-2-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetic acid ethyl ester Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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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=C(N2)C=C(C(=C3)C)C

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C2=NC3=C(N2)C=C(C(=C3)C)C

InChI

InChI=1S/C22H20BrN3O3/c1-4-28-21(27)12-29-20-6-5-17(23)10-15(20)9-16(11-24)22-25-18-7-13(2)14(3)8-19(18)26-22/h5-10H,4,12H2,1-3H3,(H,25,26)/b16-9+