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

Systemtic Name: methyl 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-5-bromanyl-benzoate Openeye Name: methyl 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-5-bromo-benzoate CAS Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-5-bromobenzoate Traditional Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-5-bromo-benzoic acid methyl ester Formula: C22H14BrN3O3 MolecularWeight: 448.26886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H14BrN3O3/c1-28-22(27)17-11-14(23)6-8-16(17)20-9-7-15(29-20)10-13(12-24)21-25-18-4-2-3-5-19(18)26-21/h2-11H,1H3,(H,25,26)/b13-10+