methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenoxy]acetic acid methyl ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC(=O)OC

InChI

InChI=1S/C21H18BrN3O4/c1-3-28-18-10-13(9-15(22)20(18)29-12-19(26)27-2)8-14(11-23)21-24-16-6-4-5-7-17(16)25-21/h4-10H,3,12H2,1-2H3,(H,24,25)/b14-8+