methyl 4-diethoxyphosphoryl-5-oxidanylidene-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-diethoxyphosphoryl-5-oxidanylidene-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxylate Openeye Name: methyl 4-diethoxyphosphoryl-5-oxo-1-(2-pyridylmethyl)-2H-pyrrole-3-carboxylate CAS Name: 4-diethoxyphosphoryl-5-oxo-1-(2-pyridinylmethyl)-2H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-diethoxyphosphoryl-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxylate Traditional Name: 4-diethoxyphosphoryl-5-keto-1-(2-pyridylmethyl)-3-pyrroline-3-carboxylic acid methyl ester Formula: C16H21N2O6P MolecularWeight: 368.321501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(CN(C1=O)CC2=CC=CC=N2)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(CN(C1=O)CC2=CC=CC=N2)C(=O)OC)OCC

InChI

InChI=1S/C16H21N2O6P/c1-4-23-25(21,24-5-2)14-13(16(20)22-3)11-18(15(14)19)10-12-8-6-7-9-17-12/h6-9H,4-5,10-11H2,1-3H3