methyl 5-bromanyl-2-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoate Openeye Name: methyl 5-bromo-2-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-furyl]benzoate CAS Name: 5-bromo-2-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 5-bromo-2-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-furyl]benzoic acid methyl ester Formula: C23H16BrN3O3 MolecularWeight: 462.29544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Br)C(=O)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Br)C(=O)OC)/C#N

InChI

InChI=1S/C23H16BrN3O3/c1-13-3-7-19-20(9-13)27-22(26-19)14(12-25)10-16-5-8-21(30-16)17-6-4-15(24)11-18(17)23(28)29-2/h3-11H,1-2H3,(H,26,27)/b14-10+