(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(4-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(4-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(4-fluorobenzoyl)acrylonitrile Formula: C17H9BrFNO3 MolecularWeight: 374.160663

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C(C#N)C(=O)C3=CC=C(C=C3)F)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C17H9BrFNO3/c18-14-6-10(7-15-17(14)23-9-22-15)5-12(8-20)16(21)11-1-3-13(19)4-2-11/h1-7H,9H2/b12-5+