3-[2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinolin-1-yl]prop-1-ynylphosphonic acid

Systemtic Name: 3-[2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinolin-1-yl]prop-1-ynylphosphonic acid Openeye Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinolin-1-yl]prop-1-ynylphosphonic acid CAS Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinolin-1-yl]prop-1-ynylphosphonic acid IUPAC Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinolin-1-yl]prop-1-ynylphosphonic acid Traditional Name: 3-[2,3-diketo-6-(trifluoromethyl)-4H-quinolin-1-yl]prop-1-ynylphosphonic acid Formula: C13H9F3NO5P MolecularWeight: 347.183231

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(F)(F)F)N(C(=O)C1=O)CC#CP(=O)(O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C(F)(F)F)N(C(=O)C1=O)CC#CP(=O)(O)O

InChI

InChI=1S/C13H9F3NO5P/c14-13(15,16)9-2-3-10-8(6-9)7-11(18)12(19)17(10)4-1-5-23(20,21)22/h2-3,6H,4,7H2,(H2,20,21,22)