methyl 2-[5,5-bis(diethoxyphosphoryl)-3-(phenylcarbonyl)-4H-pyrazol-1-yl]ethanoate

Systemtic Name: methyl 2-[5,5-bis(diethoxyphosphoryl)-3-(phenylcarbonyl)-4H-pyrazol-1-yl]ethanoate Openeye Name: methyl 2-[3-benzoyl-5,5-bis(diethoxyphosphoryl)-4H-pyrazol-1-yl]acetate CAS Name: 2-[3-benzoyl-5,5-bis(diethoxyphosphoryl)-4H-pyrazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-benzoyl-5,5-bis(diethoxyphosphoryl)-4H-pyrazol-1-yl]acetate Traditional Name: 2-[3-benzoyl-5,5-bis(diethoxyphosphoryl)-2-pyrazolin-1-yl]acetic acid methyl ester Formula: C21H32N2O9P2 MolecularWeight: 518.434302

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CC(=NN1CC(=O)OC)C(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C1(CC(=NN1CC(=O)OC)C(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C21H32N2O9P2/c1-6-29-33(26,30-7-2)21(34(27,31-8-3)32-9-4)15-18(22-23(21)16-19(24)28-5)20(25)17-13-11-10-12-14-17/h10-14H,6-9,15-16H2,1-5H3