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

Systemtic Name: methyl 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-4-bromanyl-phenoxy]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H14BrN3O3 MolecularWeight: 412.23676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O3/c1-25-18(24)11-26-17-7-6-14(20)9-12(17)8-13(10-21)19-22-15-4-2-3-5-16(15)23-19/h2-9H,11H2,1H3,(H,22,23)/b13-8+