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

Systemtic Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(2-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-(2-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-propargyloxy-phenyl)-2-(2-fluorobenzoyl)acrylonitrile Formula: C21H16FNO3 MolecularWeight: 349.355043

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO3/c1-3-11-26-19-10-9-15(13-20(19)25-4-2)12-16(14-23)21(24)17-7-5-6-8-18(17)22/h1,5-10,12-13H,4,11H2,2H3/b16-12+