(E)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3,5-dibromo-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3,5-dibromo-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3,5-dibromo-4-hydroxy-phenyl)acrylonitrile Formula: C16H9Br2NO2 MolecularWeight: 407.05616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9Br2NO2/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+