[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-nitrobenzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-nitrobenzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C16H11F2N3O4 MolecularWeight: 347.273046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2N3O4/c17-16(18)20-13-8-4-2-6-11(13)19-14(20)9-25-15(22)10-5-1-3-7-12(10)21(23)24/h1-8,16H,9H2