3-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pentan-3-yl hydrogen sulfate

Systemtic Name: 3-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pentan-3-yl hydrogen sulfate Openeye Name: [1-ethyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]propyl] hydrogen sulfate CAS Name: sulfuric acid 3-[[4-nitro-3-(trifluoromethyl)anilino]-oxomethyl]pentan-3-yl ester IUPAC Name: 3-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pentan-3-yl hydrogen sulfate Traditional Name: sulfuric acid [1-ethyl-1-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]propyl] ester Formula: C13H15F3N2O7S MolecularWeight: 400.32761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2O7S/c1-3-12(4-2,25-26(22,23)24)11(19)17-8-5-6-10(18(20)21)9(7-8)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,19)(H,22,23,24)