[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C18H15F2N3O6 MolecularWeight: 407.325006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15F2N3O6/c1-27-14-7-10(13(23(25)26)8-15(14)28-2)17(24)29-9-16-21-11-5-3-4-6-12(11)22(16)18(19)20/h3-8,18H,9H2,1-2H3