[1-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]cyclopentyl]phosphonic acid

Systemtic Name: [1-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]cyclopentyl]phosphonic acid Openeye Name: [1-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]cyclopentyl]phosphonic acid CAS Name: [1-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]cyclopentyl]phosphonic acid IUPAC Name: [1-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]cyclopentyl]phosphonic acid Traditional Name: [1-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]cyclopentyl]phosphonic acid Formula: C13H20N2O8P2 MolecularWeight: 394.254022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC2(CCCC2)P(=O)(O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=CNC2(CCCC2)P(=O)(O)O)C1=O)COP(=O)(O)O

InChI

InChI=1S/C13H20N2O8P2/c1-9-12(16)11(10(6-14-9)8-23-25(20,21)22)7-15-13(24(17,18)19)4-2-3-5-13/h6-7,15H,2-5,8H2,1H3,(H2,17,18,19)(H2,20,21,22)