diethyl 2-acetamido-2-[[3-[(E)-2-dimethoxyphosphorylethenyl]quinoxalin-2-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-[(E)-2-dimethoxyphosphorylethenyl]quinoxalin-2-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[3-[(E)-2-dimethoxyphosphorylvinyl]quinoxalin-2-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-[(E)-2-dimethoxyphosphorylethenyl]-2-quinoxalinyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[3-[(E)-2-dimethoxyphosphorylethenyl]quinoxalin-2-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-[(E)-2-dimethoxyphosphorylvinyl]quinoxalin-2-yl]methyl]malonic acid diethyl ester Formula: C22H28N3O8P MolecularWeight: 493.446781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC2=CC=CC=C2N=C1C=CP(=O)(OC)OC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=NC2=CC=CC=C2N=C1/C=C/P(=O)(OC)OC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H28N3O8P/c1-6-32-20(27)22(25-15(3)26,21(28)33-7-2)14-19-18(12-13-34(29,30-4)31-5)23-16-10-8-9-11-17(16)24-19/h8-13H,6-7,14H2,1-5H3,(H,25,26)/b13-12+