2-azanyl-3-[6,7-bis(chloranyl)-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6,7-bis(chloranyl)-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6,7-dichloro-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[6,7-dichloro-3-(phosphonomethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[6,7-dichloro-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6,7-dichloro-3-(phosphonomethyl)quinoxalin-2-yl]propionic acid Formula: C12H12Cl2N3O5P MolecularWeight: 380.120541

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)CC(C(=O)O)N)CP(=O)(O)O

Isomeric SMILES

C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)CC(C(=O)O)N)CP(=O)(O)O

InChI

InChI=1S/C12H12Cl2N3O5P/c13-5-1-8-9(2-6(5)14)17-11(4-23(20,21)22)10(16-8)3-7(15)12(18)19/h1-2,7H,3-4,15H2,(H,18,19)(H2,20,21,22)