[2-(butanoylamino)-3-nitro-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(butanoylamino)-3-nitro-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(butanoylamino)-3-nitro-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-nitro-2-(1-oxobutylamino)phenyl] ester IUPAC Name: [2-(butanoylamino)-3-nitrophenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-butyramido-3-nitro-phenyl) ester Formula: C11H11F3N2O6S MolecularWeight: 356.27505

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11F3N2O6S/c1-2-4-9(17)15-10-7(16(18)19)5-3-6-8(10)22-23(20,21)11(12,13)14/h3,5-6H,2,4H2,1H3,(H,15,17)