(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3Br)OCO4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC4=C(C=C3Br)OCO4)/C#N

InChI

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