(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-[(4-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-(4-fluorobenzoyl)acrylonitrile Formula: C18H13BrFNO3 MolecularWeight: 390.203123

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrFNO3/c1-23-16-8-12(15(19)9-17(16)24-2)7-13(10-21)18(22)11-3-5-14(20)6-4-11/h3-9H,1-2H3/b13-7+