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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methoxy-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methoxy-1H-benzimidazol-2-yl)acrylonitrile Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3Br)OCO4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC4=C(C=C3Br)OCO4)/C#N

InChI

InChI=1S/C18H12BrN3O3/c1-23-12-2-3-14-15(6-12)22-18(21-14)11(8-20)4-10-5-16-17(7-13(10)19)25-9-24-16/h2-7H,9H2,1H3,(H,21,22)/b11-4+