(E)-3-(dimethylamino)-2-(4-fluorophenyl)carbonyl-but-2-enenitrile

Systemtic Name: (E)-3-(dimethylamino)-2-(4-fluorophenyl)carbonyl-but-2-enenitrile Openeye Name: (E)-3-(dimethylamino)-2-(4-fluorobenzoyl)but-2-enenitrile CAS Name: (E)-3-(dimethylamino)-2-[(4-fluorophenyl)-oxomethyl]-2-butenenitrile IUPAC Name: (E)-3-(dimethylamino)-2-(4-fluorobenzoyl)but-2-enenitrile Traditional Name: (E)-3-(dimethylamino)-2-(4-fluorobenzoyl)but-2-enenitrile Formula: C13H13FN2O MolecularWeight: 232.253523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O/c1-9(16(2)3)12(8-15)13(17)10-4-6-11(14)7-5-10/h4-7H,1-3H3/b12-9+