(E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-4-propoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromanyl-4-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-propoxy-phenyl)acrylonitrile Formula: C19H16BrN3O MolecularWeight: 382.25384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br

InChI

InChI=1S/C19H16BrN3O/c1-2-9-24-18-8-7-13(11-15(18)20)10-14(12-21)19-22-16-5-3-4-6-17(16)23-19/h3-8,10-11H,2,9H2,1H3,(H,22,23)/b14-10+