(E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)acrylonitrile Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC#C

InChI

InChI=1S/C21H16BrN3O2/c1-3-9-27-20-16(22)11-14(12-19(20)26-4-2)10-15(13-23)21-24-17-7-5-6-8-18(17)25-21/h1,5-8,10-12H,4,9H2,2H3,(H,24,25)/b15-10+