[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C16H17F2N3O4 MolecularWeight: 353.320686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=NC=CN2C(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=NC=CN2C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F2N3O4/c1-16(2,3)11-5-4-10(8-12(11)21(23)24)14(22)25-9-13-19-6-7-20(13)15(17)18/h4-8,15H,9H2,1-3H3