(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(7-bromo-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(7-bromo-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H10BrNO3 MolecularWeight: 356.1702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrNO3/c18-14-7-11(8-15-17(14)22-10-21-15)6-13(9-19)16(20)12-4-2-1-3-5-12/h1-8H,10H2/b13-6+