(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C18H12BrN3O2 MolecularWeight: 382.21078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC4=C(C=C3Br)OCO4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC4=C(C=C3Br)OCO4)/C#N

InChI

InChI=1S/C18H12BrN3O2/c1-22-15-5-3-2-4-14(15)21-18(22)12(9-20)6-11-7-16-17(8-13(11)19)24-10-23-16/h2-8H,10H2,1H3/b12-6+