3-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile CAS Name: 3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(2-fluorophenyl)-2-propenenitrile IUPAC Name: 3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-2-(2-fluorophenyl)acrylonitrile Formula: C20H15BrFNO2 MolecularWeight: 400.241003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2F)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2F)Br)OCC#C

InChI

InChI=1S/C20H15BrFNO2/c1-3-9-25-20-17(21)11-14(12-19(20)24-4-2)10-15(13-23)16-7-5-6-8-18(16)22/h1,5-8,10-12H,4,9H2,2H3