[cyclohexyl-[4-nitro-3-(trifluoromethyl)phenyl]-pyridin-2-yloxy-methyl]phosphonic acid

Systemtic Name: [cyclohexyl-[4-nitro-3-(trifluoromethyl)phenyl]-pyridin-2-yloxy-methyl]phosphonic acid Openeye Name: [cyclohexyl-[4-nitro-3-(trifluoromethyl)phenyl]-(2-pyridyloxy)methyl]phosphonic acid CAS Name: [cyclohexyl-[4-nitro-3-(trifluoromethyl)phenyl]-(2-pyridinyloxy)methyl]phosphonic acid IUPAC Name: [cyclohexyl-[4-nitro-3-(trifluoromethyl)phenyl]-pyridin-2-yloxymethyl]phosphonic acid Traditional Name: [cyclohexyl-[4-nitro-3-(trifluoromethyl)phenyl]-(2-pyridyloxy)methyl]phosphonic acid Formula: C19H20F3N2O6P MolecularWeight: 460.340871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)(OC3=CC=CC=N3)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)(OC3=CC=CC=N3)P(=O)(O)O

InChI

InChI=1S/C19H20F3N2O6P/c20-19(21,22)15-12-14(9-10-16(15)24(25)26)18(31(27,28)29,13-6-2-1-3-7-13)30-17-8-4-5-11-23-17/h4-5,8-13H,1-3,6-7H2,(H2,27,28,29)