4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-nitro-benzonitrile CAS Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-nitrobenzonitrile Traditional Name: 4-[4-isocyano-3-(trifluoromethyl)phenyl]-3-nitro-benzonitrile Formula: C15H6F3N3O2 MolecularWeight: 317.22225

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=C(C=C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

[C-]#[N+]C1=C(C=C(C=C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H6F3N3O2/c1-20-13-5-3-10(7-12(13)15(16,17)18)11-4-2-9(8-19)6-14(11)21(22)23/h2-7H