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

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C20H19F2N3O4 MolecularWeight: 403.379366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F2N3O4/c1-20(2,3)13-9-8-12(10-16(13)25(27)28)18(26)29-11-17-23-14-6-4-5-7-15(14)24(17)19(21)22/h4-10,19H,11H2,1-3H3