[(5-methoxy-4-oxidanylidene-pyran-2-yl)-[(phenylmethyl)amino]methyl]phosphonic acid

Systemtic Name: [(5-methoxy-4-oxidanylidene-pyran-2-yl)-[(phenylmethyl)amino]methyl]phosphonic acid Openeye Name: [(benzylamino)-(5-methoxy-4-oxo-pyran-2-yl)methyl]phosphonic acid CAS Name: [(5-methoxy-4-oxo-2-pyranyl)-[(phenylmethyl)amino]methyl]phosphonic acid IUPAC Name: [(benzylamino)-(5-methoxy-4-oxopyran-2-yl)methyl]phosphonic acid Traditional Name: [(benzylamino)-(4-keto-5-methoxy-pyran-2-yl)methyl]phosphonic acid Formula: C14H16NO6P MolecularWeight: 325.253701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=COC(=CC1=O)C(NCC2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

COC1=COC(=CC1=O)C(NCC2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C14H16NO6P/c1-20-13-9-21-12(7-11(13)16)14(22(17,18)19)15-8-10-5-3-2-4-6-10/h2-7,9,14-15H,8H2,1H3,(H2,17,18,19)