[3-[5-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-nitro-phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [3-[5-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-nitro-phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [1-[[5-[3,5-bis(trifluoromethyl)benzoyl]-2-nitro-phenyl]methyl]-2-tert-butoxy-2-oxo-ethyl]ammonium CAS Name: [3-[5-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-nitrophenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]ammonium IUPAC Name: [3-[5-[3,5-bis(trifluoromethyl)benzoyl]-2-nitrophenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium Traditional Name: [1-[5-[3,5-bis(trifluoromethyl)benzoyl]-2-nitro-benzyl]-2-tert-butoxy-2-keto-ethyl]ammonium Formula: C22H21F6N2O5+ MolecularWeight: 507.402959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=C(C=CC(=C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=C(C=CC(=C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C22H20F6N2O5/c1-20(2,3)35-19(32)16(29)9-12-6-11(4-5-17(12)30(33)34)18(31)13-7-14(21(23,24)25)10-15(8-13)22(26,27)28/h4-8,10,16H,9,29H2,1-3H3/p+1