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

Systemtic Name: 2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid Openeye Name: 2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propanoic acid CAS Name: 2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]propanoic acid IUPAC Name: 2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]propanoic acid Traditional Name: 2-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]propionic acid Formula: C11H15N2O7P MolecularWeight: 318.219761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(C)C(=O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=CNC(C)C(=O)O)C1=O)COP(=O)(O)O

InChI

InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,13H,5H2,1-2H3,(H,15,16)(H2,17,18,19)