diethyl 2-acetamido-2-[[7-chloranyl-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[7-chloranyl-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)-2-quinoxalinyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]malonic acid diethyl ester Formula: C21H27ClN3O8P MolecularWeight: 515.881141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC2=C(C=CC(=C2)Cl)N=C1CP(=O)(OC)OC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=NC2=C(C=CC(=C2)Cl)N=C1CP(=O)(OC)OC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H27ClN3O8P/c1-6-32-19(27)21(25-13(3)26,20(28)33-7-2)11-17-18(12-34(29,30-4)31-5)23-15-9-8-14(22)10-16(15)24-17/h8-10H,6-7,11-12H2,1-5H3,(H,25,26)