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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Br)OC(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C)Br)OC(=O)C

InChI

InChI=1S/C21H18BrN3O3/c1-4-27-19-10-14(9-16(22)20(19)28-13(3)26)8-15(11-23)21-24-17-6-5-12(2)7-18(17)25-21/h5-10H,4H2,1-3H3,(H,24,25)/b15-8+