(E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]acrylonitrile Formula: C19H13BrN4O2 MolecularWeight: 409.23612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OCC#N

InChI

InChI=1S/C19H13BrN4O2/c1-25-17-10-12(9-14(20)18(17)26-7-6-21)8-13(11-22)19-23-15-4-2-3-5-16(15)24-19/h2-5,8-10H,7H2,1H3,(H,23,24)/b13-8+