2-[4-[[(4-fluorophenyl)amino]-isocyano-methylidene]cyclohexa-2,5-dien-1-ylidene]-2-isocyano-ethanenitrile

Systemtic Name: 2-[4-[[(4-fluorophenyl)amino]-isocyano-methylidene]cyclohexa-2,5-dien-1-ylidene]-2-isocyano-ethanenitrile Openeye Name: 2-[4-[(4-fluoroanilino)-isocyano-methylene]cyclohexa-2,5-dien-1-ylidene]-2-isocyano-acetonitrile CAS Name: 2-[4-[(4-fluoroanilino)-isocyanomethylidene]-1-cyclohexa-2,5-dienylidene]-2-isocyanoacetonitrile IUPAC Name: 2-[4-[(4-fluoroanilino)-isocyanomethylidene]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile Traditional Name: 2-[4-[(4-fluoroanilino)-isocyano-methylene]cyclohexa-2,5-dien-1-ylidene]-2-isocyano-acetonitrile Formula: C17H9FN4 MolecularWeight: 288.278563

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=C1C=CC(=C(NC2=CC=C(C=C2)F)[N+]#[C-])C=C1)C#N

Isomeric SMILES

[C-]#[N+]C(=C1C=CC(=C(NC2=CC=C(C=C2)F)[N+]#[C-])C=C1)C#N

InChI

InChI=1S/C17H9FN4/c1-20-16(11-19)12-3-5-13(6-4-12)17(21-2)22-15-9-7-14(18)8-10-15/h3-10,22H