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

Systemtic Name: methyl 2-[4-bromanyl-2-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-bromo-2-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[4-bromo-2-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetic acid methyl ester Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=CC(=C3)Br)OCC(=O)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(C=CC(=C3)Br)OCC(=O)OC)C#N

InChI

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