3-nitro-6-oxidanyl-2-[1-[2,3,6-tris(fluoranyl)-4-methyl-phenyl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-nitro-6-oxidanyl-2-[1-[2,3,6-tris(fluoranyl)-4-methyl-phenyl]ethoxy]benzenecarbonitrile Openeye Name: 6-hydroxy-3-nitro-2-[1-(2,3,6-trifluoro-4-methyl-phenyl)ethoxy]benzonitrile CAS Name: 6-hydroxy-3-nitro-2-[1-(2,3,6-trifluoro-4-methylphenyl)ethoxy]benzonitrile IUPAC Name: 6-hydroxy-3-nitro-2-[1-(2,3,6-trifluoro-4-methylphenyl)ethoxy]benzonitrile Traditional Name: 6-hydroxy-3-nitro-2-[1-(2,3,6-trifluoro-4-methyl-phenyl)ethoxy]benzonitrile Formula: C16H11F3N2O4 MolecularWeight: 352.26475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)F)C(C)OC2=C(C=CC(=C2C#N)O)[N+](=O)[O-])F

Isomeric SMILES

CC1=CC(=C(C(=C1F)F)C(C)OC2=C(C=CC(=C2C#N)O)[N+](=O)[O-])F

InChI

InChI=1S/C16H11F3N2O4/c1-7-5-10(17)13(15(19)14(7)18)8(2)25-16-9(6-20)12(22)4-3-11(16)21(23)24/h3-5,8,22H,1-2H3