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

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C16H10BrF2N3O4 MolecularWeight: 426.169106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C(F)F)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C(F)F)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrF2N3O4/c17-10-6-5-9(7-13(10)22(24)25)15(23)26-8-14-20-11-3-1-2-4-12(11)21(14)16(18)19/h1-7,16H,8H2