2-azanyl-3-[5,8-bis(chloranyl)-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5,8-bis(chloranyl)-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[5,8-dichloro-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[5,8-dichloro-3-(phosphonomethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[5,8-dichloro-3-(phosphonomethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[5,8-dichloro-3-(phosphonomethyl)quinoxalin-2-yl]propionic acid Formula: C12H12Cl2N3O5P MolecularWeight: 380.120541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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