[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluorophenyl)amino]methylphosphonic acid

Systemtic Name: [(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-fluorophenyl)amino]methylphosphonic acid Openeye Name: (N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-anilino)methylphosphonic acid CAS Name: (N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-4-fluoroanilino)methylphosphonic acid IUPAC Name: (N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-fluoroanilino)methylphosphonic acid Traditional Name: (N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-anilino)methylphosphonic acid Formula: C19H20FN2O5P MolecularWeight: 406.344664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CP(=O)(O)O)C3=CC=C(C=C3)F)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CP(=O)(O)O)C3=CC=C(C=C3)F)O)C

InChI

InChI=1S/C19H20FN2O5P/c1-19(2)18(23)17(15-9-12(10-21)3-8-16(15)27-19)22(11-28(24,25)26)14-6-4-13(20)5-7-14/h3-9,17-18,23H,11H2,1-2H3,(H2,24,25,26)