2-azanyl-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoic acid Openeye Name: 2-amino-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoic acid CAS Name: 2-amino-3-[3-(phosphonomethyl)-2-benzo[g]quinoxalinyl]propanoic acid IUPAC Name: 2-amino-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoic acid Traditional Name: 2-amino-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propionic acid Formula: C16H16N3O5P MolecularWeight: 361.289101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)N=C(C(=N3)CP(=O)(O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)N=C(C(=N3)CP(=O)(O)O)CC(C(=O)O)N

InChI

InChI=1S/C16H16N3O5P/c17-11(16(20)21)7-14-15(8-25(22,23)24)19-13-6-10-4-2-1-3-9(10)5-12(13)18-14/h1-6,11H,7-8,17H2,(H,20,21)(H2,22,23,24)