[[[3-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[3-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[3-(6-oxo-1H-pyridin-3-yl)anilino]-phosphono-methyl]phosphonic acid CAS Name: [[3-(6-oxo-1H-pyridin-3-yl)anilino]-phosphonomethyl]phosphonic acid IUPAC Name: [[3-(6-oxo-1H-pyridin-3-yl)anilino]-phosphonomethyl]phosphonic acid Traditional Name: [[3-(6-keto-1H-pyridin-3-yl)anilino]-phosphono-methyl]phosphonic acid Formula: C12H14N2O7P2 MolecularWeight: 360.196282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(P(=O)(O)O)P(=O)(O)O)C2=CNC(=O)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)NC(P(=O)(O)O)P(=O)(O)O)C2=CNC(=O)C=C2

InChI

InChI=1S/C12H14N2O7P2/c15-11-5-4-9(7-13-11)8-2-1-3-10(6-8)14-12(22(16,17)18)23(19,20)21/h1-7,12,14H,(H,13,15)(H2,16,17,18)(H2,19,20,21)