[5-[7-bromanyl-5-fluoranyl-1-(2-methylpropyl)-6-nitro-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[7-bromanyl-5-fluoranyl-1-(2-methylpropyl)-6-nitro-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(7-bromo-5-fluoro-1-isobutyl-6-nitro-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[7-bromo-5-fluoro-1-(2-methylpropyl)-6-nitro-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[7-bromo-5-fluoro-1-(2-methylpropyl)-6-nitrobenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(7-bromo-5-fluoro-1-isobutyl-6-nitro-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C15H14BrFN3O6P MolecularWeight: 462.164324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(C=C2N=C1C3=CC=C(O3)P(=O)(O)O)F)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)CN1C2=C(C(=C(C=C2N=C1C3=CC=C(O3)P(=O)(O)O)F)[N+](=O)[O-])Br

InChI

InChI=1S/C15H14BrFN3O6P/c1-7(2)6-19-14-9(5-8(17)13(12(14)16)20(21)22)18-15(19)10-3-4-11(26-10)27(23,24)25/h3-5,7H,6H2,1-2H3,(H2,23,24,25)