(E)-3-(3-bromanyl-5-iodanyl-4-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-iodanyl-4-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3-bromo-4-hydroxy-5-iodo-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-bromo-4-hydroxy-5-iodophenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-bromo-4-hydroxy-5-iodophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3-bromo-4-hydroxy-5-iodo-phenyl)acrylonitrile Formula: C16H9BrINO2 MolecularWeight: 454.05663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C(=C2)I)O)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)I)O)Br)/C#N

InChI

InChI=1S/C16H9BrINO2/c17-13-7-10(8-14(18)16(13)21)6-12(9-19)15(20)11-4-2-1-3-5-11/h1-8,21H/b12-6+