3-fluoranyl-2-[[2-methyl-3-oxidanylidene-5-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate

Systemtic Name: 3-fluoranyl-2-[[2-methyl-3-oxidanylidene-5-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate Openeye Name: 3-fluoro-2-[[2-methyl-3-oxo-5-(phosphonatooxymethyl)-4-pyridylidene]methylamino]butanoate CAS Name: 3-fluoro-2-[[2-methyl-3-oxo-5-(phosphonatooxymethyl)-4-pyridinylidene]methylamino]butanoate IUPAC Name: 3-fluoro-2-[[2-methyl-3-oxo-5-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate Traditional Name: 3-fluoro-2-[[3-keto-2-methyl-5-(phosphatomethyl)-4-pyridylidene]methylamino]butyrate Formula: C12H13FN2O7P-3 MolecularWeight: 347.212984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(C(C)F)C(=O)[O-])C1=O)COP(=O)([O-])[O-]

Isomeric SMILES

CC1=NC=C(C(=CNC(C(C)F)C(=O)[O-])C1=O)COP(=O)([O-])[O-]

InChI

InChI=1S/C12H16FN2O7P/c1-6(13)10(12(17)18)15-4-9-8(5-22-23(19,20)21)3-14-7(2)11(9)16/h3-4,6,10,15H,5H2,1-2H3,(H,17,18)(H2,19,20,21)/p-3