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

Systemtic Name: (E)-3-(3-ethoxy-4-oxidanyl-phenyl)-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-hydroxy-phenyl)-2-(2-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-[(2-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-(2-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-hydroxy-phenyl)-2-(2-fluorobenzoyl)acrylonitrile Formula: C18H14FNO3 MolecularWeight: 311.307063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2F)O

InChI

InChI=1S/C18H14FNO3/c1-2-23-17-10-12(7-8-16(17)21)9-13(11-20)18(22)14-5-3-4-6-15(14)19/h3-10,21H,2H2,1H3/b13-9+