2-[cyanomethyl-(2-ethanoyl-3-fluoranyl-phenyl)amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-(2-ethanoyl-3-fluoranyl-phenyl)amino]ethanenitrile Openeye Name: 2-[2-acetyl-N-(cyanomethyl)-3-fluoro-anilino]acetonitrile CAS Name: 2-[2-acetyl-N-(cyanomethyl)-3-fluoroanilino]acetonitrile IUPAC Name: 2-[2-acetyl-N-(cyanomethyl)-3-fluoroanilino]acetonitrile Traditional Name: 2-[2-acetyl-N-(cyanomethyl)-3-fluoro-anilino]acetonitrile Formula: C12H10FN3O MolecularWeight: 231.225703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1F)N(CC#N)CC#N

Isomeric SMILES

CC(=O)C1=C(C=CC=C1F)N(CC#N)CC#N

InChI

InChI=1S/C12H10FN3O/c1-9(17)12-10(13)3-2-4-11(12)16(7-5-14)8-6-15/h2-4H,7-8H2,1H3