(E)-3-[2,5-bis(oxidanyl)phenyl]-2-diethoxyphosphoryl-prop-2-enenitrile

Systemtic Name: (E)-3-[2,5-bis(oxidanyl)phenyl]-2-diethoxyphosphoryl-prop-2-enenitrile Openeye Name: (E)-2-diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)prop-2-enenitrile CAS Name: (E)-2-diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)acrylonitrile Formula: C13H16NO5P MolecularWeight: 297.243601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC1=C(C=CC(=C1)O)O)C#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C1=C(C=CC(=C1)O)O)/C#N)OCC

InChI

InChI=1S/C13H16NO5P/c1-3-18-20(17,19-4-2)12(9-14)8-10-7-11(15)5-6-13(10)16/h5-8,15-16H,3-4H2,1-2H3/b12-8+