(E)-2-(1H-benzimidazol-2-yl)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile hydrochloride

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile hydrochloride Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxy-phenyl)prop-2-enenitrile hydrochloride CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)-2-propenenitrile hydrochloride IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enenitrile hydrochloride Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(2-bromo-4,5-dimethoxy-phenyl)acrylonitrile hydrochloride Formula: C18H15BrClN3O2 MolecularWeight: 420.6876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OC.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Br)OC.Cl

InChI

InChI=1S/C18H14BrN3O2.ClH/c1-23-16-8-11(13(19)9-17(16)24-2)7-12(10-20)18-21-14-5-3-4-6-15(14)22-18;/h3-9H,1-2H3,(H,21,22);1H/b12-7+;