[5-[7-cyclopropyl-5-fluoranyl-1-(2-methylpropyl)-4-nitro-benzimidazol-2-yl]-3,4-diethyl-furan-2-yl]phosphonic acid

Systemtic Name: [5-[7-cyclopropyl-5-fluoranyl-1-(2-methylpropyl)-4-nitro-benzimidazol-2-yl]-3,4-diethyl-furan-2-yl]phosphonic acid Openeye Name: [5-(7-cyclopropyl-5-fluoro-1-isobutyl-4-nitro-benzimidazol-2-yl)-3,4-diethyl-2-furyl]phosphonic acid CAS Name: [5-[7-cyclopropyl-5-fluoro-1-(2-methylpropyl)-4-nitro-2-benzimidazolyl]-3,4-diethyl-2-furanyl]phosphonic acid IUPAC Name: [5-[7-cyclopropyl-5-fluoro-1-(2-methylpropyl)-4-nitrobenzimidazol-2-yl]-3,4-diethylfuran-2-yl]phosphonic acid Traditional Name: [5-(7-cyclopropyl-5-fluoro-1-isobutyl-4-nitro-benzimidazol-2-yl)-3,4-diethyl-2-furyl]phosphonic acid Formula: C22H27FN3O6P MolecularWeight: 479.438444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1CC)P(=O)(O)O)C2=NC3=C(N2CC(C)C)C(=CC(=C3[N+](=O)[O-])F)C4CC4

Isomeric SMILES

CCC1=C(OC(=C1CC)P(=O)(O)O)C2=NC3=C(N2CC(C)C)C(=CC(=C3[N+](=O)[O-])F)C4CC4

InChI

InChI=1S/C22H27FN3O6P/c1-5-13-14(6-2)22(33(29,30)31)32-20(13)21-24-17-18(25(21)10-11(3)4)15(12-7-8-12)9-16(23)19(17)26(27)28/h9,11-12H,5-8,10H2,1-4H3,(H2,29,30,31)