(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C18H14BrN3O MolecularWeight: 368.22726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C=C3)OC)Br)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C=C3)OC)Br)/C#N

InChI

InChI=1S/C18H14BrN3O/c1-22-16-6-4-3-5-15(16)21-18(22)13(11-20)9-12-7-8-17(23-2)14(19)10-12/h3-10H,1-2H3/b13-9+