[3-nitro-4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-nitro-4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl] thiocyanate Openeye Name: [3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-nitro-4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl] ester IUPAC Name: [3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl] ester Formula: C9H4F3N3O3S MolecularWeight: 291.20657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC#N)[N+](=O)[O-])NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1SC#N)[N+](=O)[O-])NC(=O)C(F)(F)F

InChI

InChI=1S/C9H4F3N3O3S/c10-9(11,12)8(16)14-6-2-1-5(19-4-13)3-7(6)15(17)18/h1-3H,(H,14,16)