[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C17H11F2N3O6 MolecularWeight: 391.282546

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H11F2N3O6/c18-17(19)21-11-4-2-1-3-10(11)20-15(21)7-26-16(23)9-5-13-14(28-8-27-13)6-12(9)22(24)25/h1-6,17H,7-8H2