(E)-3-(5-bromanyl-2,4-diethoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2,4-diethoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2,4-diethoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2,4-diethoxyphenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2,4-diethoxyphenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2,4-diethoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C=C(C#N)C2=NC3=C(N2)C=C(C=C3)OC)Br)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-4-27-19-11-20(28-5-2)16(22)9-13(19)8-14(12-23)21-24-17-7-6-15(26-3)10-18(17)25-21/h6-11H,4-5H2,1-3H3,(H,24,25)/b14-8+