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

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C17H12BrNO3 MolecularWeight: 358.18608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C(\C#N)/C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H12BrNO3/c1-22-16-9-14(18)12(8-15(16)20)7-13(10-19)17(21)11-5-3-2-4-6-11/h2-9,20H,1H3/b13-7+