(E)-2-(4-fluorophenyl)carbonyl-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-fluorophenyl)carbonyl-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-fluorobenzoyl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-fluorophenyl)-oxomethyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-fluorobenzoyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-fluorobenzoyl)-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C17H12FNO3 MolecularWeight: 297.280483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FNO3/c1-22-16-7-2-11(9-15(16)20)8-13(10-19)17(21)12-3-5-14(18)6-4-12/h2-9,20H,1H3/b13-8+