2-(2-butoxyphenyl)-2-(6-fluoranyl-3-nitro-pyridin-2-yl)ethanenitrile

Systemtic Name: 2-(2-butoxyphenyl)-2-(6-fluoranyl-3-nitro-pyridin-2-yl)ethanenitrile Openeye Name: 2-(2-butoxyphenyl)-2-(6-fluoro-3-nitro-2-pyridyl)acetonitrile CAS Name: 2-(2-butoxyphenyl)-2-(6-fluoro-3-nitro-2-pyridinyl)acetonitrile IUPAC Name: 2-(2-butoxyphenyl)-2-(6-fluoro-3-nitropyridin-2-yl)acetonitrile Traditional Name: 2-(2-butoxyphenyl)-2-(6-fluoro-3-nitro-2-pyridyl)acetonitrile Formula: C17H16FN3O3 MolecularWeight: 329.325643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(C#N)C2=C(C=CC(=N2)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1C(C#N)C2=C(C=CC(=N2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN3O3/c1-2-3-10-24-15-7-5-4-6-12(15)13(11-19)17-14(21(22)23)8-9-16(18)20-17/h4-9,13H,2-3,10H2,1H3