2-acetamido-2-[[7-chloranyl-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[[7-chloranyl-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioic acid Openeye Name: 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioic acid CAS Name: 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)-2-quinoxalinyl]methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]propanedioic acid Traditional Name: 2-acetamido-2-[[7-chloro-3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]methyl]malonic acid Formula: C17H19ClN3O8P MolecularWeight: 459.774821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN3O8P/c1-9(22)21-17(15(23)24,16(25)26)7-13-14(8-30(27,28-2)29-3)19-11-5-4-10(18)6-12(11)20-13/h4-6H,7-8H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)