2-azanyl-3-[6-chloranyl-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-chloranyl-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-chloro-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[6-chloro-3-(phosphonomethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[6-chloro-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-chloro-3-(phosphonomethyl)quinoxalin-2-yl]propionic acid Formula: C12H13ClN3O5P MolecularWeight: 345.675481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(C(=N2)CC(C(=O)O)N)CP(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(C(=N2)CC(C(=O)O)N)CP(=O)(O)O

InChI

InChI=1S/C12H13ClN3O5P/c13-6-1-2-8-9(3-6)16-11(5-22(19,20)21)10(15-8)4-7(14)12(17)18/h1-3,7H,4-5,14H2,(H,17,18)(H2,19,20,21)