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

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C13H11F2N3O4S MolecularWeight: 343.305946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NC=CN2C(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NC=CN2C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F2N3O4S/c1-23-10-3-2-8(6-9(10)18(20)21)12(19)22-7-11-16-4-5-17(11)13(14)15/h2-6,13H,7H2,1H3