(4-diethoxyphosphoryl-1-ethanoyl-4H-pyridin-3-yl) benzoate

Systemtic Name: (4-diethoxyphosphoryl-1-ethanoyl-4H-pyridin-3-yl) benzoate Openeye Name: (1-acetyl-4-diethoxyphosphoryl-4H-pyridin-3-yl) benzoate CAS Name: benzoic acid (1-acetyl-4-diethoxyphosphoryl-4H-pyridin-3-yl) ester IUPAC Name: (1-acetyl-4-diethoxyphosphoryl-4H-pyridin-3-yl) benzoate Traditional Name: benzoic acid (1-acetyl-4-diethoxyphosphoryl-4H-pyridin-3-yl) ester Formula: C18H22NO6P MolecularWeight: 379.344141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C=CN(C=C1OC(=O)C2=CC=CC=C2)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(C1C=CN(C=C1OC(=O)C2=CC=CC=C2)C(=O)C)OCC

InChI

InChI=1S/C18H22NO6P/c1-4-23-26(22,24-5-2)17-11-12-19(14(3)20)13-16(17)25-18(21)15-9-7-6-8-10-15/h6-13,17H,4-5H2,1-3H3