1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid

Systemtic Name: 1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid Openeye Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid CAS Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid IUPAC Name: 1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid Traditional Name: 1-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]propylphosphonic acid Formula: C12H15BrN3O5P MolecularWeight: 392.142361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)P(=O)(O)O

Isomeric SMILES

CCC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)P(=O)(O)O

InChI

InChI=1S/C12H15BrN3O5P/c1-2-9(22(19,20)21)14-5-6-3-7(13)4-8-10(6)16-12(18)11(17)15-8/h3-4,9,14H,2,5H2,1H3,(H,15,17)(H,16,18)(H2,19,20,21)