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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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