2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]butan-2-ylphosphonic acid

Systemtic Name: 2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]butan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propyl]phosphonic acid CAS Name: 2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]butan-2-ylphosphonic acid IUPAC Name: 2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]butan-2-ylphosphonic acid Traditional Name: [1-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]-1-methyl-propyl]phosphonic acid Formula: C12H20N2O8P2 MolecularWeight: 382.243322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(NC=C1C(=CN=C(C1=O)C)COP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(C)(NC=C1C(=CN=C(C1=O)C)COP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H20N2O8P2/c1-4-12(3,23(16,17)18)14-6-10-9(7-22-24(19,20)21)5-13-8(2)11(10)15/h5-6,14H,4,7H2,1-3H3,(H2,16,17,18)(H2,19,20,21)