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

Systemtic Name: methyl 2-[2-bromanyl-4-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-bromo-4-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetic acid methyl ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)OCC(=O)OC)Br)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3)OCC(=O)OC)Br)C#N

InChI

InChI=1S/C21H18BrN3O3/c1-12-6-17-18(7-13(12)2)25-21(24-17)15(10-23)8-14-4-5-19(16(22)9-14)28-11-20(26)27-3/h4-9H,11H2,1-3H3,(H,24,25)