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

Systemtic Name: methyl 2-[2-bromanyl-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]phenoxy]acetic acid methyl ester Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OCC(=O)OC)Br)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3)OCC(=O)OC)Br)/C#N

InChI

InChI=1S/C20H16BrN3O4/c1-26-14-4-5-16-17(9-14)24-20(23-16)13(10-22)7-12-3-6-18(15(21)8-12)28-11-19(25)27-2/h3-9H,11H2,1-2H3,(H,23,24)/b13-7+