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

Systemtic Name: [5-[7-ethenyl-5-fluoranyl-1-(2-methylpropyl)-4-nitro-benzimidazol-2-yl]-3,4-diethyl-furan-2-yl]phosphonic acid Openeye Name: [3,4-diethyl-5-(5-fluoro-1-isobutyl-4-nitro-7-vinyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[7-ethenyl-5-fluoro-1-(2-methylpropyl)-4-nitro-2-benzimidazolyl]-3,4-diethyl-2-furanyl]phosphonic acid IUPAC Name: [5-[7-ethenyl-5-fluoro-1-(2-methylpropyl)-4-nitrobenzimidazol-2-yl]-3,4-diethylfuran-2-yl]phosphonic acid Traditional Name: [3,4-diethyl-5-(5-fluoro-1-isobutyl-4-nitro-7-vinyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C21H25FN3O6P MolecularWeight: 465.411864

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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)C=C

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN3O6P/c1-6-12-9-15(22)18(25(26)27)16-17(12)24(10-11(4)5)20(23-16)19-13(7-2)14(8-3)21(31-19)32(28,29)30/h6,9,11H,1,7-8,10H2,2-5H3,(H2,28,29,30)