[5-(2-methylpropanoylamino)-2-nitro-phenyl] hydrogen sulfate; tris(fluoranyl)methane

Systemtic Name: [5-(2-methylpropanoylamino)-2-nitro-phenyl] hydrogen sulfate; tris(fluoranyl)methane Openeye Name: fluoroform; [5-(2-methylpropanoylamino)-2-nitro-phenyl] hydrogen sulfate CAS Name: fluoroform; sulfuric acid [5-[(2-methyl-1-oxopropyl)amino]-2-nitrophenyl] ester IUPAC Name: fluoroform; [5-(2-methylpropanoylamino)-2-nitrophenyl] hydrogen sulfate Traditional Name: fluoroform; sulfuric acid [5-(isobutyrylamino)-2-nitro-phenyl] ester Formula: C11H13F3N2O7S MolecularWeight: 374.29033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])OS(=O)(=O)O.C(F)(F)F

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])OS(=O)(=O)O.C(F)(F)F

InChI

InChI=1S/C10H12N2O7S.CHF3/c1-6(2)10(13)11-7-3-4-8(12(14)15)9(5-7)19-20(16,17)18;2-1(3)4/h3-6H,1-2H3,(H,11,13)(H,16,17,18);1H